2-Carbamimidoylbenzoic acid
TL;DR: 2-Carbamimidoylbenzoic acid (CAS 1023822-37-8) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-carbamimidoylbenzoic acid
Also Known As: 2-carbamimidoylbenzoic Acid, 2-carbamimidoylbenzoicacid, 2-Amidinobenzoic acid, 2-(amino(imino)methyl)benzoic acid, J3.688.386C
Technical Specifications
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.05858 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.05858 Da |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
| SMILES | C1=CC=C(C(=C1)C(=N)N)C(=O)O |
| InChIKey | VOOKAZPDXSWCPJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Carbamimidoylbenzoic acid
Property Insights of 2-Carbamimidoylbenzoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamimidoylbenzoic acid. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamimidoylbenzoic acid. Following Lipinski's Rule of Five, 2-Carbamimidoylbenzoic 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
What is the CAS number of 2-Carbamimidoylbenzoic acid?
The CAS number of 2-Carbamimidoylbenzoic acid is 1023822-37-8.
What is the molecular formula of 2-Carbamimidoylbenzoic acid?
The molecular formula of 2-Carbamimidoylbenzoic acid is C8H8N2O2.
What is the molecular weight of 2-Carbamimidoylbenzoic acid?
The molecular weight of 2-Carbamimidoylbenzoic acid is 164.05858 g/mol.
Where can I buy 2-Carbamimidoylbenzoic acid?
You can request a quote for 2-Carbamimidoylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Carbamimidoylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Carbamimidoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.