1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole
TL;DR: 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole (CAS 868237-99-4) is a chemical compound with molecular formula C15H12Cl2N2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-chloro-2-(chloromethyl)benzimidazole
Also Known As: 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole, 1-benzyl-5-chloro-2-(chloromethyl)-1H-benzimidazole, 1-benzyl-5-chloro-2-(chloromethyl)benzimidazole
| Molecular Formula | C15H12Cl2N2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.4768 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03775 |
| Heavy Atoms | 19 |
| Complexity | 704.7424 |
Chemical Identifiers
| CAS Number | 868237-99-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CCl |
Product Overview
1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole (CAS 868237-99-4), with molecular formula C15H12Cl2N2 and molecular weight 290.04 g/mol. IUPAC: 1-benzyl-5-chloro-2-(chloromethyl)benzimidazole.
Chemical Property Profile of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole
Property Insights of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole
The XLogP value of 4.4768 indicates that 1-benzyl-5-chloro-2-(chloromethyl)-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, 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-5-chloro-2-(chloromethyl)-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 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole?
The CAS number of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole is 868237-99-4.
What is the molecular formula of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole?
The molecular formula of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole is C15H12Cl2N2.
What is the molecular weight of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole?
The molecular weight of 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole is 290.04 g/mol.
Where can I buy 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole?
You can request a quote for 1-benzyl-5-chloro-2-(chloromethyl)-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 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.