Barban
TL;DR: Barban (CAS 101-27-9) 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-(3-chlorophenyl)carbamate
Also Known As: BARBAN, Barbamate, Barbane, Carbyne, Chlorinat
| Molecular Formula | C11H9Cl2NO2 |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 3.2 |
| 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 | 295.0 |
| Melting Point | 75-76 °C |
| Boiling Point | Degrades before boiling |
| Density | 1.403 g/cu cm at 25 °C |
| Solubility | At 25 °C g/100 g solvent: benzene 32.7 g; n-butylbenzene 11.3 g; n-dodecane less than 0.1 g; n-hexane 0.14 g; isopropylbenzene less than 7.0 g; kerosene 0.39 g; toluene 25.7 g; 2,2,4-trimethylpentane more than 0.3 g; xylene 27.9 g; water 0.0011 g |
| Flash Point | 50.0 °C (Closed cup) |
| Vapor Pressure | 0.00000038 [mmHg] |
Chemical Identifiers
| CAS Number | 101-27-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl |
| InChIKey | MCOQHIWZJUDQIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barban (CAS 101-27-9), with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol. IUPAC: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Barban
Property Insights of Barban
The XLogP value of 3.2 indicates that Barban is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Barban exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barban 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 Barban?
The CAS number of Barban is 101-27-9.
What is the molecular formula of Barban?
The molecular formula of Barban is C11H9Cl2NO2.
What is the molecular weight of Barban?
The molecular weight of Barban is 257.00 g/mol.
Where can I buy Barban?
You can request a quote for Barban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barban?
Yes, KEHONG BIO provides custom synthesis services for Barban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.