Carbamimidic acid, benzoyl-, methyl ester
TL;DR: Carbamimidic acid, benzoyl-, methyl ester (CAS 58476-79-2) 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.
methyl N'-benzoylcarbamimidate
Also Known As: Methyl N-benzoylimidocarbamate, methyl N'-benzoylcarbamimidate, Methyl N-benzoylimidocarbamate #, Carbamimidic acid, benzoyl-, methyl ester
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 58476-79-2 |
|---|---|
| SMILES | COC(=NC(=O)C1=CC=CC=C1)N |
| InChIKey | ZAHKMTIMJPQHLA-UHFFFAOYSA-N |
Product Overview
Carbamimidic acid, benzoyl-, methyl ester (CAS 58476-79-2), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: methyl N'-benzoylcarbamimidate.
Chemical Property Profile of Carbamimidic acid, benzoyl-, methyl ester
Property Insights of Carbamimidic acid, benzoyl-, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidic acid, benzoyl-, methyl ester. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidic acid, benzoyl-, methyl ester. Following Lipinski's Rule of Five, Carbamimidic acid, benzoyl-, methyl ester has 1 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 Carbamimidic acid, benzoyl-, methyl ester?
The CAS number of Carbamimidic acid, benzoyl-, methyl ester is 58476-79-2.
What is the molecular formula of Carbamimidic acid, benzoyl-, methyl ester?
The molecular formula of Carbamimidic acid, benzoyl-, methyl ester is C9H10N2O2.
What is the molecular weight of Carbamimidic acid, benzoyl-, methyl ester?
The molecular weight of Carbamimidic acid, benzoyl-, methyl ester is 178.07 g/mol.
Where can I buy Carbamimidic acid, benzoyl-, methyl ester?
You can request a quote for Carbamimidic acid, benzoyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidic acid, benzoyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidic acid, benzoyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.