BR 383
TL;DR: BR 383 (CAS 123567-32-8) is a chemical compound with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
BR 383
4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: BR 383, 4-((2-Chloroethyl)methylamino)-2-butynyl N-(3-chlorophenyl)carbamate, 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate, 4-((2-Chloroethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate, 4-[(2-chloroethyl)(methyl)amino]but-2-yn-1-yl N-(3-chlorophenyl)carbamate
| Molecular Formula | C14H16Cl2N2O2 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.05887 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 123567-32-8 |
|---|---|
| SMILES | CN(CCCl)CC#CCOC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | UAJSBXOPWFLIRI-UHFFFAOYSA-N |
Product Overview
BR 383 (CAS 123567-32-8), with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol. IUPAC: 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of BR 383
Property Insights of BR 383
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BR 383. With a topological polar surface area (TPSA) of 41.6 Ų, BR 383 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BR 383 has 1 hydrogen bond donor(s) and 3 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 123567-32-8.
What is the molecular formula of BR 383?
The molecular formula of BR 383 is C14H16Cl2N2O2.
What is the molecular weight of BR 383?
The molecular weight of BR 383 is 314.06 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.