3-(Aminoiminomethyl)benzoic acid
TL;DR: 3-(Aminoiminomethyl)benzoic acid (CAS 42823-63-2) 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.
3-carbamimidoylbenzoic acid
Also Known As: 3-carbamimidoylbenzoic Acid, Ataluren metabolite M2, 3-Amidinium benzoate, 3-amidinobenzoic acid, 3-(aminoiminomethyl)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 | 304.3347 |
Chemical Identifiers
| CAS Number | 42823-63-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=N)N |
Product Overview
3-(Aminoiminomethyl)benzoic acid (CAS 42823-63-2), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: 3-carbamimidoylbenzoic acid.
Chemical Property Profile of 3-(Aminoiminomethyl)benzoic acid
Property Insights of 3-(Aminoiminomethyl)benzoic acid
The XLogP value of 0.66887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminoiminomethyl)benzoic acid. The TPSA of 87.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminoiminomethyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Aminoiminomethyl)benzoic 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 3-(Aminoiminomethyl)benzoic acid?
The CAS number of 3-(Aminoiminomethyl)benzoic acid is 42823-63-2.
What is the molecular formula of 3-(Aminoiminomethyl)benzoic acid?
The molecular formula of 3-(Aminoiminomethyl)benzoic acid is C8H8N2O2.
What is the molecular weight of 3-(Aminoiminomethyl)benzoic acid?
The molecular weight of 3-(Aminoiminomethyl)benzoic acid is 164.06 g/mol.
Where can I buy 3-(Aminoiminomethyl)benzoic acid?
You can request a quote for 3-(Aminoiminomethyl)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-(Aminoiminomethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminoiminomethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.