Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-
TL;DR: Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- (CAS 148270-02-4) is a chemical compound with molecular formula C18H27ClN4O3 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate;hydrochloride
Also Known As: Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-, Ethyl 3-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate Hydrochloride, 4-(Carbamimidamidomethyl)-N-(3-(ethoxycarbonyl)phenyl)cyclohexane-1-carboximidic acid--hydrogen chloride (1/1), 4-(Carbamimidamidomethyl)-N-[3-(ethoxycarbonyl)phenyl]cyclohexane-1-carboximidic acid--hydrogen chloride (1/1), 4-[(Carbamimidoylamino)methyl]-N-[3-(ethoxycarbonyl)phenyl]cyclohexane-1-carboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C18H27ClN4O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 2.3034 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.17715 |
| Heavy Atoms | 26 |
| Complexity | 639.0783 |
Chemical Identifiers
| CAS Number | 148270-02-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCC(CC2)CN=C(N)N.Cl |
Product Overview
Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- (CAS 148270-02-4), with molecular formula C18H27ClN4O3 and molecular weight 382.18 g/mol. IUPAC: ethyl 3-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-
Property Insights of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-
The XLogP value of 2.3034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-. Following Lipinski's Rule of Five, Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-?
The CAS number of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- is 148270-02-4.
What is the molecular formula of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-?
The molecular formula of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- is C18H27ClN4O3.
What is the molecular weight of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-?
The molecular weight of Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- is 382.18 g/mol.
Where can I buy Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-?
You can request a quote for Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.