氯苄达唑
TL;DR: 氯苄达唑 (CAS 3689-76-7) is a chemical compound with molecular formula C15H13ClN2 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯苄达唑
1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole
Also Known As: Chlormidazole, clomidazole, Clormidazol, Chlormidazolum, Myco-polycid
| Molecular Formula | C15H13ClN2 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07672 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
| Solubility | 24.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3689-76-7 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl |
| InChIKey | WNAQOLSMVPFGTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯苄达唑 (CAS 3689-76-7), with molecular formula C15H13ClN2 and molecular weight 256.08 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole.
Chemical Property Profile of 氯苄达唑
Property Insights of 氯苄达唑
The XLogP value of 4.1 indicates that 氯苄达唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 氯苄达唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯苄达唑 has 0 hydrogen bond donor(s) and 1 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 氯苄达唑?
The CAS number of 氯苄达唑 is 3689-76-7.
What is the molecular formula of 氯苄达唑?
The molecular formula of 氯苄达唑 is C15H13ClN2.
What is the molecular weight of 氯苄达唑?
The molecular weight of 氯苄达唑 is 256.08 g/mol.
Where can I buy 氯苄达唑?
You can request a quote for 氯苄达唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯苄达唑?
Yes, KEHONG BIO provides custom synthesis services for 氯苄达唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.