3-(4-Chlorophenyl)prop-2-enal
TL;DR: 3-(4-Chlorophenyl)prop-2-enal (CAS 1075-77-0) 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-(4-chlorophenyl)prop-2-enal
Also Known As: 4-CHLOROCINNAMALDEHYDE, (E)-3-(4-Chlorophenyl)acrylaldehyde, p-Chlorocinnamaldehyde, 3-(4-Chlorophenyl)acrylaldehyde, (4-Pyridyl)acetone
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.5521 |
| 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 | 261.39615 |
Chemical Identifiers
| CAS Number | 1075-77-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C=O)Cl |
Product Overview
3-(4-Chlorophenyl)prop-2-enal (CAS 1075-77-0), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: (E)-3-(4-chlorophenyl)prop-2-enal.
Chemical Property Profile of 3-(4-Chlorophenyl)prop-2-enal
Property Insights of 3-(4-Chlorophenyl)prop-2-enal
The XLogP value of 2.5521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)prop-2-enal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(4-Chlorophenyl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)prop-2-enal 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-(4-Chlorophenyl)prop-2-enal?
The CAS number of 3-(4-Chlorophenyl)prop-2-enal is 1075-77-0.
What is the molecular formula of 3-(4-Chlorophenyl)prop-2-enal?
The molecular formula of 3-(4-Chlorophenyl)prop-2-enal is C9H7ClO.
What is the molecular weight of 3-(4-Chlorophenyl)prop-2-enal?
The molecular weight of 3-(4-Chlorophenyl)prop-2-enal is 166.02 g/mol.
Where can I buy 3-(4-Chlorophenyl)prop-2-enal?
You can request a quote for 3-(4-Chlorophenyl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.