methyl 1H-1,3-benzodiazole-5-carboxylate
TL;DR: methyl 1H-1,3-benzodiazole-5-carboxylate (CAS 26663-77-4) 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 3H-benzimidazole-5-carboxylate
Also Known As: METHYL BENZIMIDAZOLE-5-CARBOXYLATE, Methyl 1H-benzimidazole-5-carboxylate, null, METHYL 1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE, methyl 3H-benzimidazole-5-carboxylate
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.3495 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 447.56635 |
Chemical Identifiers
| CAS Number | 26663-77-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=CN2 |
Product Overview
methyl 1H-1,3-benzodiazole-5-carboxylate (CAS 26663-77-4), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: methyl 3H-benzimidazole-5-carboxylate.
Chemical Property Profile of methyl 1H-1,3-benzodiazole-5-carboxylate
Property Insights of methyl 1H-1,3-benzodiazole-5-carboxylate
The XLogP value of 1.3495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-1,3-benzodiazole-5-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 1H-1,3-benzodiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1H-1,3-benzodiazole-5-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-5-carboxylate?
The CAS number of methyl 1H-1,3-benzodiazole-5-carboxylate is 26663-77-4.
What is the molecular formula of methyl 1H-1,3-benzodiazole-5-carboxylate?
The molecular formula of methyl 1H-1,3-benzodiazole-5-carboxylate is C9H8N2O2.
What is the molecular weight of methyl 1H-1,3-benzodiazole-5-carboxylate?
The molecular weight of methyl 1H-1,3-benzodiazole-5-carboxylate is 176.06 g/mol.
Where can I buy methyl 1H-1,3-benzodiazole-5-carboxylate?
You can request a quote for methyl 1H-1,3-benzodiazole-5-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-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-1,3-benzodiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.