(Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde
TL;DR: (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde (CAS 31357-82-1) 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.
(Z)-3-chloro-2-methyl-3-phenylprop-2-enal
Also Known As: (Z)-2-Methyl-3-chloro-3-phenylpropenal, (Z)-2-Methyl-3-phenyl-3-chloropropenal, (Z)-3-chloro-2-methyl-3-phenylacrylaldehyde, -3-Chloro-2-methyl-3-phenyl-acrylaldehyde, 2-Propenal, 3-chloro-2-methyl-3-phenyl-
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 31357-82-1 |
|---|---|
| SMILES | C/C(=C(\C1=CC=CC=C1)/Cl)/C=O |
| InChIKey | KEAJNYRGWHUHDL-NTMALXAHSA-N |
Product Overview
(Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde (CAS 31357-82-1), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: (Z)-3-chloro-2-methyl-3-phenylprop-2-enal.
Chemical Property Profile of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde
Property Insights of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde 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 (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde?
The CAS number of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde is 31357-82-1.
What is the molecular formula of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde?
The molecular formula of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde is C10H9ClO.
What is the molecular weight of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde?
The molecular weight of (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde is 180.03 g/mol.
Where can I buy (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde?
You can request a quote for (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-chloro-2-methyl-3-phenyl-acrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.