methyl 1H-1,3-benzodiazole-2-carboxylate
TL;DR: methyl 1H-1,3-benzodiazole-2-carboxylate (CAS 1865-04-9) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1H-benzimidazole-2-carboxylate
Also Known As: Methyl 1H-benzo[d]imidazole-2-carboxylate, Not Available, Methyl benzimidazole-2-carboxylate, Methyl 1H-benzimidazole-2-carboxylate, zlchem 1014
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 1865-04-9 |
|---|---|
| SMILES | COC(=O)C1=NC2=CC=CC=C2N1 |
| InChIKey | LKUBWDNDGBVKFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1H-1,3-benzodiazole-2-carboxylate (CAS 1865-04-9), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: methyl 1H-benzimidazole-2-carboxylate.
Chemical Property Profile of methyl 1H-1,3-benzodiazole-2-carboxylate
Property Insights of methyl 1H-1,3-benzodiazole-2-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-1,3-benzodiazole-2-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, methyl 1H-1,3-benzodiazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1H-1,3-benzodiazole-2-carboxylate has 1 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 1H-1,3-benzodiazole-2-carboxylate?
The CAS number of methyl 1H-1,3-benzodiazole-2-carboxylate is 1865-04-9.
What is the molecular formula of methyl 1H-1,3-benzodiazole-2-carboxylate?
The molecular formula of methyl 1H-1,3-benzodiazole-2-carboxylate is C9H8N2O2.
What is the molecular weight of methyl 1H-1,3-benzodiazole-2-carboxylate?
The molecular weight of methyl 1H-1,3-benzodiazole-2-carboxylate is 176.06 g/mol.
Where can I buy methyl 1H-1,3-benzodiazole-2-carboxylate?
You can request a quote for methyl 1H-1,3-benzodiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1H-1,3-benzodiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-1,3-benzodiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.