Acrylophenone, 3-chloro-4'-methyl-, (E)-
TL;DR: Acrylophenone, 3-chloro-4'-methyl-, (E)- (CAS 41124-45-2) is a chemical compound with molecular formula C10H9ClO and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chloro-1-(4-methylphenyl)prop-2-en-1-one
Also Known As: 2-(4-Methylbenzoyl)vinyl chloride, 2-Chlorvinyl-(4-tolyl)keton, trans-3-Chloro-4'-methylacrylophenone, (E)-beta-Chloro-4/'-methylacrylophenone, 3-chloro-1-(4-methylphenyl)prop-2-en-1-one
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.93022 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 298.11954 |
Chemical Identifiers
| CAS Number | 41124-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/Cl |
Product Overview
Acrylophenone, 3-chloro-4'-methyl-, (E)- (CAS 41124-45-2), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: (E)-3-chloro-1-(4-methylphenyl)prop-2-en-1-one.
Chemical Property Profile of Acrylophenone, 3-chloro-4'-methyl-, (E)-
Property Insights of Acrylophenone, 3-chloro-4'-methyl-, (E)-
The XLogP value of 2.93022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylophenone, 3-chloro-4'-methyl-, (E)-. With a topological polar surface area (TPSA) of 17.07 Ų, Acrylophenone, 3-chloro-4'-methyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylophenone, 3-chloro-4'-methyl-, (E)- 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 Acrylophenone, 3-chloro-4'-methyl-, (E)-?
The CAS number of Acrylophenone, 3-chloro-4'-methyl-, (E)- is 41124-45-2.
What is the molecular formula of Acrylophenone, 3-chloro-4'-methyl-, (E)-?
The molecular formula of Acrylophenone, 3-chloro-4'-methyl-, (E)- is C10H9ClO.
What is the molecular weight of Acrylophenone, 3-chloro-4'-methyl-, (E)-?
The molecular weight of Acrylophenone, 3-chloro-4'-methyl-, (E)- is 180.03 g/mol.
Where can I buy Acrylophenone, 3-chloro-4'-methyl-, (E)-?
You can request a quote for Acrylophenone, 3-chloro-4'-methyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylophenone, 3-chloro-4'-methyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Acrylophenone, 3-chloro-4'-methyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.