Chloroethylclonidine
TL;DR: Chloroethylclonidine (CAS 77472-95-8) is a chemical compound with molecular formula C13H17Cl3N4 and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,6-dichloro-4-[[2-chloroethyl(methyl)amino]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
Also Known As: Chloroethylclonidine, Chlorethylclonidine, Lopac-B-003, Lopac0_000195, Chloroethylclonidine dihydrochloride
| Molecular Formula | C13H17Cl3N4 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.05188 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 77472-95-8 |
|---|---|
| SMILES | CN(CCCl)CC1=CC(=C(C(=C1)Cl)NC2=NCCN2)Cl |
| InChIKey | XFDVJGKSQRUEEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroethylclonidine (CAS 77472-95-8), with molecular formula C13H17Cl3N4 and molecular weight 334.05 g/mol. IUPAC: N-[2,6-dichloro-4-[[2-chloroethyl(methyl)amino]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
Chemical Property Profile of Chloroethylclonidine
Property Insights of Chloroethylclonidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroethylclonidine. With a topological polar surface area (TPSA) of 39.7 Ų, Chloroethylclonidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroethylclonidine 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 Chloroethylclonidine?
The CAS number of Chloroethylclonidine is 77472-95-8.
What is the molecular formula of Chloroethylclonidine?
The molecular formula of Chloroethylclonidine is C13H17Cl3N4.
What is the molecular weight of Chloroethylclonidine?
The molecular weight of Chloroethylclonidine is 334.05 g/mol.
Where can I buy Chloroethylclonidine?
You can request a quote for Chloroethylclonidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroethylclonidine?
Yes, KEHONG BIO provides custom synthesis services for Chloroethylclonidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.