2-chloro-5,6-dimethyl-1H-1,3-benzodiazole
TL;DR: 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole (CAS 39791-96-3) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,6-dimethyl-1H-benzimidazole
Also Known As: 2-chloro-5,6-dimethyl-1H-benzimidazole, null, 2-chloro-5,6-dimethyl-1H-benzo[d]imidazole, 2-chloro-5,6-dimethylbenzimidazole, 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 39791-96-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)Cl |
| InChIKey | LTWREDHXPZYJOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-5,6-dimethyl-1H-1,3-benzodiazole (CAS 39791-96-3), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 2-chloro-5,6-dimethyl-1H-benzimidazole.
Chemical Property Profile of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole
Property Insights of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole
The XLogP value of 3.2 indicates that 2-chloro-5,6-dimethyl-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 28.7 Ų, 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole has 1 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 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole?
The CAS number of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole is 39791-96-3.
What is the molecular formula of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular formula of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole is C9H9ClN2.
What is the molecular weight of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular weight of 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole is 180.05 g/mol.
Where can I buy 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole?
You can request a quote for 2-chloro-5,6-dimethyl-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 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5,6-dimethyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.