4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate
TL;DR: 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate (CAS 4835-23-8) is a chemical compound with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-ynyl N-(4-chlorophenyl)carbamate
Also Known As: N,N-dibutyl-1,6-diaminohexane, 4-chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate, 4-chlorobut-2-yn-1-yl(4-chlorophenyl)carbamate, 4-chlorobut-2-ynyl N-(4-chlorophenyl)carbamate, (4-chloro-phenyl)-carbamic acid-(4-chloro-but-2-ynyl ester)
| Molecular Formula | C11H9Cl2NO2 |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00104 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4835-23-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCC#CCCl)Cl |
| InChIKey | QBEXUBXQPHUBEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate (CAS 4835-23-8), with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol. IUPAC: 4-chlorobut-2-ynyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate
Property Insights of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate 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 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate?
The CAS number of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate is 4835-23-8.
What is the molecular formula of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate?
The molecular formula of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate is C11H9Cl2NO2.
What is the molecular weight of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate?
The molecular weight of 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate is 257.00 g/mol.
Where can I buy 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate?
You can request a quote for 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobut-2-yn-1-yl (4-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.