Cinnamoyl chloride, 2',6'-dichloro-
TL;DR: Cinnamoyl chloride, 2',6'-dichloro- (CAS 52479-64-8) is a chemical compound with molecular formula C9H5Cl3O and molecular weight 233.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride
Also Known As: 2,6-Dichlorocinnamoyl chloride, 3- propenoylchloride, (2E)-3-(2,6-DICHLOROPHENYL)ACRYLOYL CHLORIDE, (E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride, (2E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride
| Molecular Formula | C9H5Cl3O |
|---|---|
| Molecular Weight | 233.94 g/mol |
| LogP | 3.772 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.9406 |
| Heavy Atoms | 13 |
| Complexity | 337.6275 |
Chemical Identifiers
| CAS Number | 52479-64-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C(=O)Cl)Cl |
Product Overview
Cinnamoyl chloride, 2',6'-dichloro- (CAS 52479-64-8), with molecular formula C9H5Cl3O and molecular weight 233.94 g/mol. IUPAC: (E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride.
Chemical Property Profile of Cinnamoyl chloride, 2',6'-dichloro-
Property Insights of Cinnamoyl chloride, 2',6'-dichloro-
The XLogP value of 3.772 indicates that Cinnamoyl chloride, 2',6'-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Cinnamoyl chloride, 2',6'-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamoyl chloride, 2',6'-dichloro- 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 Cinnamoyl chloride, 2',6'-dichloro-?
The CAS number of Cinnamoyl chloride, 2',6'-dichloro- is 52479-64-8.
What is the molecular formula of Cinnamoyl chloride, 2',6'-dichloro-?
The molecular formula of Cinnamoyl chloride, 2',6'-dichloro- is C9H5Cl3O.
What is the molecular weight of Cinnamoyl chloride, 2',6'-dichloro-?
The molecular weight of Cinnamoyl chloride, 2',6'-dichloro- is 233.94 g/mol.
Where can I buy Cinnamoyl chloride, 2',6'-dichloro-?
You can request a quote for Cinnamoyl chloride, 2',6'-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamoyl chloride, 2',6'-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for Cinnamoyl chloride, 2',6'-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.