3-Carbamimidoylmethyl-benzoic acid
TL;DR: 3-Carbamimidoylmethyl-benzoic acid (CAS 183435-80-5) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-2-iminoethyl)benzoic acid
Also Known As: 3-Carbamimidoylmethyl-benzoic acid, 3-(2-amino-2-iminoethyl)benzoic acid, 3-Carbamimidoylmethylbenzoicacid, 3-(carbamimidoylmethyl)benzoic acid, 2225AJ
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 183435-80-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CC(=N)N |
| InChIKey | JQCBHVKQBLOSBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carbamimidoylmethyl-benzoic acid (CAS 183435-80-5), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 3-(2-amino-2-iminoethyl)benzoic acid.
Chemical Property Profile of 3-Carbamimidoylmethyl-benzoic acid
Property Insights of 3-Carbamimidoylmethyl-benzoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbamimidoylmethyl-benzoic acid. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamimidoylmethyl-benzoic acid. Following Lipinski's Rule of Five, 3-Carbamimidoylmethyl-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 3-Carbamimidoylmethyl-benzoic acid?
The CAS number of 3-Carbamimidoylmethyl-benzoic acid is 183435-80-5.
What is the molecular formula of 3-Carbamimidoylmethyl-benzoic acid?
The molecular formula of 3-Carbamimidoylmethyl-benzoic acid is C9H10N2O2.
What is the molecular weight of 3-Carbamimidoylmethyl-benzoic acid?
The molecular weight of 3-Carbamimidoylmethyl-benzoic acid is 178.07 g/mol.
Where can I buy 3-Carbamimidoylmethyl-benzoic acid?
You can request a quote for 3-Carbamimidoylmethyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamimidoylmethyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamimidoylmethyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.