4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride
TL;DR: 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride (CAS 89022-08-2) is a chemical compound with molecular formula C17H18ClN3O4 and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: NIOSH/DH1421750, 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(ethoxycarbonyl)phenyl ester, monohydrochloride, 4-((Aminoiminomethyl)amino)benzoic acid 4-(ethoxycarbonyl)phenyl ester hydrochloride, (4-ethoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride
| Molecular Formula | C17H18ClN3O4 |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.4092 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.09857 |
| Heavy Atoms | 25 |
| Complexity | 754.46735 |
Chemical Identifiers
| CAS Number | 89022-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl |
Product Overview
4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride (CAS 89022-08-2), with molecular formula C17H18ClN3O4 and molecular weight 363.10 g/mol. IUPAC: (4-ethoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride
Property Insights of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride
The XLogP value of 2.4092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride. Following Lipinski's Rule of Five, 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride has 2 hydrogen bond donor(s) and 5 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 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride?
The CAS number of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride is 89022-08-2.
What is the molecular formula of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride?
The molecular formula of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride is C17H18ClN3O4.
What is the molecular weight of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride?
The molecular weight of 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride is 363.10 g/mol.
Where can I buy 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride?
You can request a quote for 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.