Benclonidine
TL;DR: Benclonidine (CAS 57647-79-7) is a chemical compound with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
Also Known As: Benclonidine, Benclonidinum, Benclonidino, benclonidina, Benclonidine [INN]
| Molecular Formula | C16H13Cl2N3O |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 57647-79-7 |
|---|---|
| SMILES | C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CC=C3 |
| InChIKey | YHEMKMZUJKPOCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benclonidine (CAS 57647-79-7), with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol. IUPAC: [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone.
Chemical Property Profile of Benclonidine
Property Insights of Benclonidine
The XLogP value of 4.0 indicates that Benclonidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, Benclonidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benclonidine has 1 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 Benclonidine?
The CAS number of Benclonidine is 57647-79-7.
What is the molecular formula of Benclonidine?
The molecular formula of Benclonidine is C16H13Cl2N3O.
What is the molecular weight of Benclonidine?
The molecular weight of Benclonidine is 333.04 g/mol.
Where can I buy Benclonidine?
You can request a quote for Benclonidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benclonidine?
Yes, KEHONG BIO provides custom synthesis services for Benclonidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.