5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole
TL;DR: 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole (CAS 578708-01-7) is a chemical compound with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole
Also Known As: starbld0048602, 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole, 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole, 5,6-dichloro-2-(4-piperidyl)-1H-benzimidazole, J2.053.342K
| Molecular Formula | C12H13Cl2N3 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.04865 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 578708-01-7 |
|---|---|
| SMILES | C1CNCCC1C2=NC3=CC(=C(C=C3N2)Cl)Cl |
| InChIKey | RLULJFAFKCOCFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole (CAS 578708-01-7), with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol. IUPAC: 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole.
Chemical Property Profile of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole
Property Insights of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole
The XLogP value of 3.2 indicates that 5,6-dichloro-2-(piperidin-4-yl)-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 40.7 Ų, 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole has 2 hydrogen bond donor(s) and 2 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 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole?
The CAS number of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole is 578708-01-7.
What is the molecular formula of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole?
The molecular formula of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole is C12H13Cl2N3.
What is the molecular weight of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole?
The molecular weight of 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole is 269.05 g/mol.
Where can I buy 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole?
You can request a quote for 5,6-dichloro-2-(piperidin-4-yl)-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 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.