3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal
TL;DR: 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal (CAS 71209-67-1) is a chemical compound with molecular formula C11H11ClO and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methyl-3-(4-methylphenyl)prop-2-enal
Also Known As: 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal, 3-chloro-2-methyl-3-(4-methylphenyl)prop-2-enal, 2-Propenal,3-chloro-2-methyl-3-(4-methylphenyl)-
| Molecular Formula | C11H11ClO |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 3.16372 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04984 |
| Heavy Atoms | 13 |
| Complexity | 335.61285 |
Chemical Identifiers
| CAS Number | 71209-67-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=C(C)C=O)Cl |
Product Overview
3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal (CAS 71209-67-1), with molecular formula C11H11ClO and molecular weight 194.05 g/mol. IUPAC: 3-chloro-2-methyl-3-(4-methylphenyl)prop-2-enal.
Chemical Property Profile of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal
Property Insights of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal
The XLogP value of 3.16372 indicates that 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal 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-2-methyl-3-(4-methylphenyl)-2-propenal?
The CAS number of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal is 71209-67-1.
What is the molecular formula of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal?
The molecular formula of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal is C11H11ClO.
What is the molecular weight of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal?
The molecular weight of 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal is 194.05 g/mol.
Where can I buy 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal?
You can request a quote for 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-3-(4-methylphenyl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.