4-Carbamimidoylbenzoic acid
TL;DR: 4-Carbamimidoylbenzoic acid (CAS 42823-72-3) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamimidoylbenzoic acid
Also Known As: 4-carbamimidoylbenzoic Acid, 4-amidinobenzoic acid, 4-carbamimidoylbenzoicAcid, 4-AMIDINOBENZOICACID, 4-Carbamimidoyl-benzoic acid
| Molecular Formula | C8H8N2O2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 0.66887 |
| Topological Polar Surface Area | 87.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.05858 |
| Heavy Atoms | 12 |
| Complexity | 283.3347 |
Chemical Identifiers
| CAS Number | 42823-72-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=N)N)C(=O)O |
Product Overview
4-Carbamimidoylbenzoic acid (CAS 42823-72-3), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: 4-carbamimidoylbenzoic acid.
Chemical Property Profile of 4-Carbamimidoylbenzoic acid
Property Insights of 4-Carbamimidoylbenzoic acid
The XLogP value of 0.66887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamimidoylbenzoic acid. The TPSA of 87.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamimidoylbenzoic acid. Following Lipinski's Rule of Five, 4-Carbamimidoylbenzoic acid has 3 hydrogen bond donor(s) and 2 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-Carbamimidoylbenzoic acid?
The CAS number of 4-Carbamimidoylbenzoic acid is 42823-72-3.
What is the molecular formula of 4-Carbamimidoylbenzoic acid?
The molecular formula of 4-Carbamimidoylbenzoic acid is C8H8N2O2.
What is the molecular weight of 4-Carbamimidoylbenzoic acid?
The molecular weight of 4-Carbamimidoylbenzoic acid is 164.06 g/mol.
Where can I buy 4-Carbamimidoylbenzoic acid?
You can request a quote for 4-Carbamimidoylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbamimidoylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamimidoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.