Chlorbufam
TL;DR: Chlorbufam (CAS 1967-16-4) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-yn-2-yl N-(3-chlorophenyl)carbamate
Also Known As: Chlorbupham, Chlorobufam, Grisemin, Grisin, Chlorbufame
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| Melting Point | 45-46 °C |
| Density | Density 1.22 /Technical grade/ |
| Solubility | Solubility at 20 °C - methanol (286 g/Kg); acetone (280 g/Kg); ethanol (95 g/Kg) |
| Vapor Pressure | 0.0000158 [mmHg] |
Chemical Identifiers
| CAS Number | 1967-16-4 |
|---|---|
| SMILES | CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | ULBXWWGWDPVHAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorbufam (CAS 1967-16-4), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: but-3-yn-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Chlorbufam
Property Insights of Chlorbufam
The XLogP value of 3.1 indicates that Chlorbufam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Chlorbufam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorbufam 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 Chlorbufam?
The CAS number of Chlorbufam is 1967-16-4.
What is the molecular formula of Chlorbufam?
The molecular formula of Chlorbufam is C11H10ClNO2.
What is the molecular weight of Chlorbufam?
The molecular weight of Chlorbufam is 223.04 g/mol.
Where can I buy Chlorbufam?
You can request a quote for Chlorbufam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorbufam?
Yes, KEHONG BIO provides custom synthesis services for Chlorbufam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.