2'-Carbomethoxyphenyl 4-guanidinobenzoate
TL;DR: 2'-Carbomethoxyphenyl 4-guanidinobenzoate (CAS 89022-11-7) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate
Also Known As: MSGB, 2'-Carbomethoxyphenyl 4-guanidinobenzoate, methyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate, Salicylic acid, methyl ester, ester with p-guanidinobenzoic acid, 4-((Aminoiminomethyl)amino)benzoic acid 2-(methoxycarbonyl)phenyl ester
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 89022-11-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)N=C(N)N |
| InChIKey | QFHVTOHRBHBYIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Carbomethoxyphenyl 4-guanidinobenzoate (CAS 89022-11-7), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: methyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate.
Chemical Property Profile of 2'-Carbomethoxyphenyl 4-guanidinobenzoate
Property Insights of 2'-Carbomethoxyphenyl 4-guanidinobenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Carbomethoxyphenyl 4-guanidinobenzoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Carbomethoxyphenyl 4-guanidinobenzoate. Following Lipinski's Rule of Five, 2'-Carbomethoxyphenyl 4-guanidinobenzoate 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 2'-Carbomethoxyphenyl 4-guanidinobenzoate?
The CAS number of 2'-Carbomethoxyphenyl 4-guanidinobenzoate is 89022-11-7.
What is the molecular formula of 2'-Carbomethoxyphenyl 4-guanidinobenzoate?
The molecular formula of 2'-Carbomethoxyphenyl 4-guanidinobenzoate is C16H15N3O4.
What is the molecular weight of 2'-Carbomethoxyphenyl 4-guanidinobenzoate?
The molecular weight of 2'-Carbomethoxyphenyl 4-guanidinobenzoate is 313.11 g/mol.
Where can I buy 2'-Carbomethoxyphenyl 4-guanidinobenzoate?
You can request a quote for 2'-Carbomethoxyphenyl 4-guanidinobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Carbomethoxyphenyl 4-guanidinobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Carbomethoxyphenyl 4-guanidinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.