6-chloro-1-phenyl-1H-1,3-benzodiazole
TL;DR: 6-chloro-1-phenyl-1H-1,3-benzodiazole (CAS 96048-77-0) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-phenylbenzimidazole
Also Known As: 1-Phenylbenzimidazole deriv. 78, 6-chloro-1-phenylbenzimidazole, 1-Phenyl-6-chloro-1H-benzoimidazole, 6-chloro-1-phenyl-1H-1,3-benzodiazole, 6-chloro-1-phenyl-1H-benzo[d]imidazole
| Molecular Formula | C13H9ClN2 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 3.6789 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04543 |
| Heavy Atoms | 16 |
| Complexity | 628.73254 |
Chemical Identifiers
| CAS Number | 96048-77-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NC3=C2C=C(C=C3)Cl |
Product Overview
6-chloro-1-phenyl-1H-1,3-benzodiazole (CAS 96048-77-0), with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol. IUPAC: 6-chloro-1-phenylbenzimidazole.
Chemical Property Profile of 6-chloro-1-phenyl-1H-1,3-benzodiazole
Property Insights of 6-chloro-1-phenyl-1H-1,3-benzodiazole
The XLogP value of 3.6789 indicates that 6-chloro-1-phenyl-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 6-chloro-1-phenyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-1-phenyl-1H-1,3-benzodiazole 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 6-chloro-1-phenyl-1H-1,3-benzodiazole?
The CAS number of 6-chloro-1-phenyl-1H-1,3-benzodiazole is 96048-77-0.
What is the molecular formula of 6-chloro-1-phenyl-1H-1,3-benzodiazole?
The molecular formula of 6-chloro-1-phenyl-1H-1,3-benzodiazole is C13H9ClN2.
What is the molecular weight of 6-chloro-1-phenyl-1H-1,3-benzodiazole?
The molecular weight of 6-chloro-1-phenyl-1H-1,3-benzodiazole is 228.05 g/mol.
Where can I buy 6-chloro-1-phenyl-1H-1,3-benzodiazole?
You can request a quote for 6-chloro-1-phenyl-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-1-phenyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-1-phenyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.