3-(5-Chloro-2-methoxyphenyl)prop-2-enal
TL;DR: 3-(5-Chloro-2-methoxyphenyl)prop-2-enal (CAS 33538-90-8) is a chemical compound with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enal
Also Known As: 3-(5-chloro-2-methoxyphenyl)prop-2-enal, (E)-3-(5-Chloro-2-methoxyphenyl)acrylaldehyde, (E)-3-(5-chloro-2-methoxyphenyl)prop-2-enal, (2E)-3-(5-Chloro-2-methoxyphenyl)prop-2-enal
| Molecular Formula | C10H9ClO2 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 2.5607 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.02911 |
| Heavy Atoms | 13 |
| Complexity | 331.6967 |
Chemical Identifiers
| CAS Number | 33538-90-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)/C=C/C=O |
Product Overview
3-(5-Chloro-2-methoxyphenyl)prop-2-enal (CAS 33538-90-8), with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol. IUPAC: (E)-3-(5-chloro-2-methoxyphenyl)prop-2-enal.
Chemical Property Profile of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal
Property Insights of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal
The XLogP value of 2.5607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-2-methoxyphenyl)prop-2-enal. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(5-Chloro-2-methoxyphenyl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Chloro-2-methoxyphenyl)prop-2-enal has 0 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 3-(5-Chloro-2-methoxyphenyl)prop-2-enal?
The CAS number of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal is 33538-90-8.
What is the molecular formula of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal?
The molecular formula of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal is C10H9ClO2.
What is the molecular weight of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal?
The molecular weight of 3-(5-Chloro-2-methoxyphenyl)prop-2-enal is 196.03 g/mol.
Where can I buy 3-(5-Chloro-2-methoxyphenyl)prop-2-enal?
You can request a quote for 3-(5-Chloro-2-methoxyphenyl)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-(5-Chloro-2-methoxyphenyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-2-methoxyphenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.