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4-guanidinobenzoic acid
p-hydroxyphenylacetic acid-N, N-dimethylcarbamoylmethyl ester
camostat
Conditions | Yield |
---|---|
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile for 5h; Reflux; | 38.2 g |
L-Tartaric acid
camostat
Conditions | Yield |
---|---|
With water In isopropyl alcohol at 25 - 75℃; | 99.1% |
camostat
1-hydroxy-2-naphthoic acid
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 25 - 60℃; | 99.1% |
1,5-pentanedioic acid
camostat
Conditions | Yield |
---|---|
In ethanol at 20 - 65℃; | 98% |
Adipic acid
camostat
Conditions | Yield |
---|---|
In ethanol at 20 - 65℃; | 98% |
glycolic Acid
camostat
Conditions | Yield |
---|---|
In ethanol at 20 - 70℃; | 96.3% |
glycolic Acid
camostat
Conditions | Yield |
---|---|
With water In isopropyl alcohol at 20 - 45℃; | 95.3% |
acetic acid
camostat
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 20 - 45℃; | 89.5% |
succinic acid
camostat
Conditions | Yield |
---|---|
In ethanol; water at 20 - 75℃; | 88% |
succinic acid
camostat
Conditions | Yield |
---|---|
In ethanol; water at 20 - 70℃; | 87.9% |
This chemical is called Camostat, and its systematic name is N,N-dimethylcarbamoylmethyl 4-(4-guanidinobenzoyloxy)phenylacetate. With the molecular formula of C20H22N4O5, its molecular weight is 398.42. The CAS registry number of this chemical is 59721-28-7, and its product category is API. Additionally, this chemical is often used as non-peptide protease inhibitors.
Other characteristics of the Camostat can be summarised as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 3.57; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 91.75 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 105.42 cm3; (15)Molar Volume: 309.5 cm3; (16)Polarizability: 41.79×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 337.6 °C; (20)Enthalpy of Vaporization: 93.79 kJ/mol; (21)Boiling Point: 634.6 °C at 760 mmHg; (22)Vapour Pressure: 5.22E-16 mmHg at 25°C.
Production method of this chemical:
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C)c2ccc(/N=C(\N)N)cc2
2.InChI: InChI=1/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
3.InChIKey: XASIMHXSUQUHLV-UHFFFAOYAB