Cinnamyl chloride
TL;DR: Cinnamyl chloride (CAS 2812-01-3) is a chemical compound with molecular formula C9H9Cl and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-chloroprop-1-enyl]benzene
Also Known As: Cinnamyl chloride, (3-chloroprop-1-en-1-yl)benzene, Cinnamylchloride, trans-Cinnamyl chloride, (E)-(3-Chloroprop-1-en-1-yl)benzene
| Molecular Formula | C9H9Cl |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.03928 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 2812-01-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CCl |
| InChIKey | IWTYTFSSTWXZFU-QPJJXVBHSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinnamyl chloride (CAS 2812-01-3), with molecular formula C9H9Cl and molecular weight 152.04 g/mol. IUPAC: [(E)-3-chloroprop-1-enyl]benzene.
Chemical Property Profile of Cinnamyl chloride
Property Insights of Cinnamyl chloride
The XLogP value of 3.2 indicates that Cinnamyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cinnamyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl chloride has 0 hydrogen bond donor(s) and 0 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 Cinnamyl chloride?
The CAS number of Cinnamyl chloride is 2812-01-3.
What is the molecular formula of Cinnamyl chloride?
The molecular formula of Cinnamyl chloride is C9H9Cl.
What is the molecular weight of Cinnamyl chloride?
The molecular weight of Cinnamyl chloride is 152.04 g/mol.
Where can I buy Cinnamyl chloride?
You can request a quote for Cinnamyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.