BR 383
TL;DR: BR 383 (CAS 123567-33-9) is a chemical compound with molecular formula C16H18Cl2N2O6 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate;oxalic acid
Also Known As: BR 383, 4-((2-Chloroethyl)methylamino)-2-butynyl N-(3-chlorophenyl)carbamate oxalate, Carbamic acid, (3-chlorophenyl)-, 4-((2-chloroethyl)methylamino)-2-butynyl ester, ethanedioate (1:1), 4-((2-Chloroethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate ethanedioate (1:1), 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate;oxalic acid
| Molecular Formula | C16H18Cl2N2O6 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 2.2181 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0542 |
| Heavy Atoms | 26 |
| Complexity | 660.1941 |
Chemical Identifiers
| CAS Number | 123567-33-9 |
|---|---|
| SMILES | CN(CCCl)CC#CCOC(=O)NC1=CC(=CC=C1)Cl.C(=O)(C(=O)O)O |
Product Overview
BR 383 (CAS 123567-33-9), with molecular formula C16H18Cl2N2O6 and molecular weight 404.05 g/mol. IUPAC: 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate;oxalic acid.
Chemical Property Profile of BR 383
Property Insights of BR 383
The XLogP value of 2.2181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BR 383. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BR 383. Following Lipinski's Rule of Five, BR 383 has 3 hydrogen bond donor(s) and 5 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 BR 383?
The CAS number of BR 383 is 123567-33-9.
What is the molecular formula of BR 383?
The molecular formula of BR 383 is C16H18Cl2N2O6.
What is the molecular weight of BR 383?
The molecular weight of BR 383 is 404.05 g/mol.
Where can I buy BR 383?
You can request a quote for BR 383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BR 383?
Yes, KEHONG BIO provides custom synthesis services for BR 383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.