环苯达唑
TL;DR: 环苯达唑 (CAS 31431-43-3) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环苯达唑
methyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate
Also Known As: Cyclobendazole, Ciclobendazole, Ciclobendazol, Ciclobendazolum, Haptocil
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 31431-43-3 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3 |
| InChIKey | OXLKOMYHDYVIDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环苯达唑 (CAS 31431-43-3), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: methyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of 环苯达唑
Property Insights of 环苯达唑
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环苯达唑. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 环苯达唑. Following Lipinski's Rule of Five, 环苯达唑 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 环苯达唑?
The CAS number of 环苯达唑 is 31431-43-3.
What is the molecular formula of 环苯达唑?
The molecular formula of 环苯达唑 is C13H13N3O3.
What is the molecular weight of 环苯达唑?
The molecular weight of 环苯达唑 is 259.10 g/mol.
Where can I buy 环苯达唑?
You can request a quote for 环苯达唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环苯达唑?
Yes, KEHONG BIO provides custom synthesis services for 环苯达唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.