Methyl 1-phenylbenzoimidazole-6-carboxylate
TL;DR: Methyl 1-phenylbenzoimidazole-6-carboxylate (CAS 220495-77-2) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylbenzimidazole-5-carboxylate
Also Known As: METHYL 1-PHENYLBENZOIMIDAZOLE-6-CARBOXYLATE, methyl 3-phenylbenzimidazole-5-carboxylate, 1-Phenylbenzimidazole deriv. 80, Methyl 1-phenyl-1H-benzo[d]imidazole-6-carboxylate, methyl 1-phenyl-1H-1,3-benzodiazole-6-carboxylate
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.8121 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 732.2452 |
Chemical Identifiers
| CAS Number | 220495-77-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=CN2C3=CC=CC=C3 |
Product Overview
Methyl 1-phenylbenzoimidazole-6-carboxylate (CAS 220495-77-2), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: methyl 3-phenylbenzimidazole-5-carboxylate.
Chemical Property Profile of Methyl 1-phenylbenzoimidazole-6-carboxylate
Property Insights of Methyl 1-phenylbenzoimidazole-6-carboxylate
The XLogP value of 2.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-phenylbenzoimidazole-6-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 1-phenylbenzoimidazole-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-phenylbenzoimidazole-6-carboxylate has 0 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 Methyl 1-phenylbenzoimidazole-6-carboxylate?
The CAS number of Methyl 1-phenylbenzoimidazole-6-carboxylate is 220495-77-2.
What is the molecular formula of Methyl 1-phenylbenzoimidazole-6-carboxylate?
The molecular formula of Methyl 1-phenylbenzoimidazole-6-carboxylate is C15H12N2O2.
What is the molecular weight of Methyl 1-phenylbenzoimidazole-6-carboxylate?
The molecular weight of Methyl 1-phenylbenzoimidazole-6-carboxylate is 252.09 g/mol.
Where can I buy Methyl 1-phenylbenzoimidazole-6-carboxylate?
You can request a quote for Methyl 1-phenylbenzoimidazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-phenylbenzoimidazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-phenylbenzoimidazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.