2,5-dichloro-1H-1,3-benzodiazole
TL;DR: 2,5-dichloro-1H-1,3-benzodiazole (CAS 4887-95-0) is a chemical compound with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-1H-benzimidazole
Also Known As: 2,5-Dichlorobenzimidazole, 2,5-Dichloro-1H-benzimidazole, 2,6-dichloro-1H-benzimidazole, 2,6-Dichloro-1H-benzo[d]imidazole, 2,5-dichloro-1H-benzo[d]imidazole
| Molecular Formula | C7H4Cl2N2 |
|---|---|
| Molecular Weight | 185.98 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 | 185.97516 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 4887-95-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)Cl |
| InChIKey | LLIARSREYVCQHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-dichloro-1H-1,3-benzodiazole (CAS 4887-95-0), with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol. IUPAC: 2,6-dichloro-1H-benzimidazole.
Chemical Property Profile of 2,5-dichloro-1H-1,3-benzodiazole
Property Insights of 2,5-dichloro-1H-1,3-benzodiazole
The XLogP value of 3.2 indicates that 2,5-dichloro-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, 2,5-dichloro-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dichloro-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 2,5-dichloro-1H-1,3-benzodiazole?
The CAS number of 2,5-dichloro-1H-1,3-benzodiazole is 4887-95-0.
What is the molecular formula of 2,5-dichloro-1H-1,3-benzodiazole?
The molecular formula of 2,5-dichloro-1H-1,3-benzodiazole is C7H4Cl2N2.
What is the molecular weight of 2,5-dichloro-1H-1,3-benzodiazole?
The molecular weight of 2,5-dichloro-1H-1,3-benzodiazole is 185.98 g/mol.
Where can I buy 2,5-dichloro-1H-1,3-benzodiazole?
You can request a quote for 2,5-dichloro-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 2,5-dichloro-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dichloro-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.