甲苯达唑
TL;DR: 甲苯达唑 (CAS 31431-39-7) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯达唑
methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
Also Known As: mebendazole, Vermox, Pantelmin, Telmin, Ovitelmin
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
| Melting Point | 288.5 °C |
| Solubility | Practically insoluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 31431-39-7 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | OPXLLQIJSORQAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲苯达唑 (CAS 31431-39-7), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate.
Chemical Property Profile of 甲苯达唑
Property Insights of 甲苯达唑
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲苯达唑. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲苯达唑. Following Lipinski's Rule of Five, 甲苯咪唑 has 2 hydrogen bond donor(s) and 4 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 甲苯咪唑?
The CAS number of 甲苯咪唑 is 31431-39-7.
What is the molecular formula of 甲苯咪唑?
The molecular formula of 甲苯咪唑 is C16H13N3O3.
What is the molecular weight of 甲苯咪唑?
The molecular weight of 甲苯咪唑 is 295.10 g/mol.
Where can I buy 甲苯咪唑?
You can request a quote for 甲苯咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲苯咪唑?
Yes, KEHONG BIO provides custom synthesis services for 甲苯咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.