4-(2-Guanidinoethyl)benzoic acid
TL;DR: 4-(2-Guanidinoethyl)benzoic acid (CAS 64124-30-7) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(diaminomethylideneamino)ethyl]benzoic acid
Also Known As: 4-(2-guanidinoethyl)benzoic acid, 4-(guanidinoethyl)benzoic acid, 4-[2-(diaminomethylideneamino)ethyl]benzoic acid, 4-[2-(hydrazinylmethylideneamino)ethyl]benzoic acid, Benzoic acid, 4-[2-[(aminoiminomethyl)amino]ethyl]-
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 64124-30-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN=C(N)N)C(=O)O |
| InChIKey | NYEQPPGHJFJEQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Guanidinoethyl)benzoic acid (CAS 64124-30-7), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 4-[2-(diaminomethylideneamino)ethyl]benzoic acid.
Chemical Property Profile of 4-(2-Guanidinoethyl)benzoic acid
Property Insights of 4-(2-Guanidinoethyl)benzoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Guanidinoethyl)benzoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Guanidinoethyl)benzoic acid. Following Lipinski's Rule of Five, 4-(2-Guanidinoethyl)benzoic acid has 3 hydrogen bond donor(s) and 3 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-(2-Guanidinoethyl)benzoic acid?
The CAS number of 4-(2-Guanidinoethyl)benzoic acid is 64124-30-7.
What is the molecular formula of 4-(2-Guanidinoethyl)benzoic acid?
The molecular formula of 4-(2-Guanidinoethyl)benzoic acid is C10H13N3O2.
What is the molecular weight of 4-(2-Guanidinoethyl)benzoic acid?
The molecular weight of 4-(2-Guanidinoethyl)benzoic acid is 207.10 g/mol.
Where can I buy 4-(2-Guanidinoethyl)benzoic acid?
You can request a quote for 4-(2-Guanidinoethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Guanidinoethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Guanidinoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.