Cinnamaldehyde, beta-chloro-p-methyl-
TL;DR: Cinnamaldehyde, beta-chloro-p-methyl- (CAS 161891-25-4) 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-3-(4-methylphenyl)prop-2-enal
Also Known As: beta-Chloro-p-methylcinnamaldehyde, (Z)-3-Chloro-3-p-tolylacrylaldehyde, 1-Chlor-1-p-tolyl-propen-3-al, CINNAMALDEHYDE, beta-CHLORO-p-METHYL-, 1-Chlor-1-phenyl-1-buten-3-on
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.77362 |
| 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 | 161891-25-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C/C=O)/Cl |
Product Overview
Cinnamaldehyde, beta-chloro-p-methyl- (CAS 161891-25-4), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: (Z)-3-chloro-3-(4-methylphenyl)prop-2-enal.
Chemical Property Profile of Cinnamaldehyde, beta-chloro-p-methyl-
Property Insights of Cinnamaldehyde, beta-chloro-p-methyl-
The XLogP value of 2.77362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamaldehyde, beta-chloro-p-methyl-. With a topological polar surface area (TPSA) of 17.07 Ų, Cinnamaldehyde, beta-chloro-p-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamaldehyde, beta-chloro-p-methyl- 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 Cinnamaldehyde, beta-chloro-p-methyl-?
The CAS number of Cinnamaldehyde, beta-chloro-p-methyl- is 161891-25-4.
What is the molecular formula of Cinnamaldehyde, beta-chloro-p-methyl-?
The molecular formula of Cinnamaldehyde, beta-chloro-p-methyl- is C10H9ClO.
What is the molecular weight of Cinnamaldehyde, beta-chloro-p-methyl-?
The molecular weight of Cinnamaldehyde, beta-chloro-p-methyl- is 180.03 g/mol.
Where can I buy Cinnamaldehyde, beta-chloro-p-methyl-?
You can request a quote for Cinnamaldehyde, beta-chloro-p-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamaldehyde, beta-chloro-p-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Cinnamaldehyde, beta-chloro-p-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.