2-Butyn-1-one, 4-chloro-1-phenyl-
TL;DR: 2-Butyn-1-one, 4-chloro-1-phenyl- (CAS 41658-10-0) is a chemical compound with molecular formula C10H7ClO and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-phenylbut-2-yn-1-one
Also Known As: 2-Butyn-1-one, 4-chloro-1-phenyl-, 4-chloro-1-phenylbut-2-yn-1-one, 4-Chloro-1-phenyl-2-butyn-1-one, 1-Phenyl-4-chloro-2-butyn-1-one, BRN 2248032
| Molecular Formula | C10H7ClO |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 2.1115 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.01854 |
| Heavy Atoms | 12 |
| Complexity | 318.68698 |
Chemical Identifiers
| CAS Number | 41658-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C#CCCl |
Product Overview
2-Butyn-1-one, 4-chloro-1-phenyl- (CAS 41658-10-0), with molecular formula C10H7ClO and molecular weight 178.02 g/mol. IUPAC: 4-chloro-1-phenylbut-2-yn-1-one.
Chemical Property Profile of 2-Butyn-1-one, 4-chloro-1-phenyl-
Property Insights of 2-Butyn-1-one, 4-chloro-1-phenyl-
The XLogP value of 2.1115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-one, 4-chloro-1-phenyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Butyn-1-one, 4-chloro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-one, 4-chloro-1-phenyl- has 0 hydrogen bond donor(s) and 1 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 2-Butyn-1-one, 4-chloro-1-phenyl-?
The CAS number of 2-Butyn-1-one, 4-chloro-1-phenyl- is 41658-10-0.
What is the molecular formula of 2-Butyn-1-one, 4-chloro-1-phenyl-?
The molecular formula of 2-Butyn-1-one, 4-chloro-1-phenyl- is C10H7ClO.
What is the molecular weight of 2-Butyn-1-one, 4-chloro-1-phenyl-?
The molecular weight of 2-Butyn-1-one, 4-chloro-1-phenyl- is 178.02 g/mol.
Where can I buy 2-Butyn-1-one, 4-chloro-1-phenyl-?
You can request a quote for 2-Butyn-1-one, 4-chloro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-one, 4-chloro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-one, 4-chloro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.