3-Chloro-1-phenyl-2-propen-1-one
TL;DR: 3-Chloro-1-phenyl-2-propen-1-one (CAS 15724-79-5) is a chemical compound with molecular formula C9H7ClO and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chloro-1-phenylprop-2-en-1-one
Also Known As: 3-Chloroacrylophenone, 2-Benzoylvinyl chloride, trans-3-Chloroacrylophenone, 2-Chlorovinylphenylketone, (E)-beta-Chloroacrylophenone
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.6218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01854 |
| Heavy Atoms | 11 |
| Complexity | 264.15103 |
Chemical Identifiers
| CAS Number | 15724-79-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C/Cl |
Product Overview
3-Chloro-1-phenyl-2-propen-1-one (CAS 15724-79-5), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: (E)-3-chloro-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-Chloro-1-phenyl-2-propen-1-one
Property Insights of 3-Chloro-1-phenyl-2-propen-1-one
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-phenyl-2-propen-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-1-phenyl-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-phenyl-2-propen-1-one 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 3-Chloro-1-phenyl-2-propen-1-one?
The CAS number of 3-Chloro-1-phenyl-2-propen-1-one is 15724-79-5.
What is the molecular formula of 3-Chloro-1-phenyl-2-propen-1-one?
The molecular formula of 3-Chloro-1-phenyl-2-propen-1-one is C9H7ClO.
What is the molecular weight of 3-Chloro-1-phenyl-2-propen-1-one?
The molecular weight of 3-Chloro-1-phenyl-2-propen-1-one is 166.02 g/mol.
Where can I buy 3-Chloro-1-phenyl-2-propen-1-one?
You can request a quote for 3-Chloro-1-phenyl-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-phenyl-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-phenyl-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.