3,5-Dichloro-alpha-methylstyrene
TL;DR: 3,5-Dichloro-alpha-methylstyrene (CAS 68575-36-0) is a chemical compound with molecular formula C9H8Cl2 and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-5-prop-1-en-2-ylbenzene
Also Known As: 2-(3,5-Dichlorophenyl)propene, 3,5-Dichloro-alpha-methylstyrene, 1,3-dichloro-5-(prop-1-en-2-yl)benzene, 1,3-dichloro-5-prop-1-en-2-ylbenzene, 3,5-Dichloro-.alpha.-methylstyrene
| Molecular Formula | C9H8Cl2 |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.0003 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 68575-36-0 |
|---|---|
| SMILES | CC(=C)C1=CC(=CC(=C1)Cl)Cl |
| InChIKey | CSXMJJOTTRDXHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloro-alpha-methylstyrene (CAS 68575-36-0), with molecular formula C9H8Cl2 and molecular weight 186.00 g/mol. IUPAC: 1,3-dichloro-5-prop-1-en-2-ylbenzene.
Chemical Property Profile of 3,5-Dichloro-alpha-methylstyrene
Property Insights of 3,5-Dichloro-alpha-methylstyrene
The XLogP value of 4.6 indicates that 3,5-Dichloro-alpha-methylstyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Dichloro-alpha-methylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-alpha-methylstyrene 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 3,5-Dichloro-alpha-methylstyrene?
The CAS number of 3,5-Dichloro-alpha-methylstyrene is 68575-36-0.
What is the molecular formula of 3,5-Dichloro-alpha-methylstyrene?
The molecular formula of 3,5-Dichloro-alpha-methylstyrene is C9H8Cl2.
What is the molecular weight of 3,5-Dichloro-alpha-methylstyrene?
The molecular weight of 3,5-Dichloro-alpha-methylstyrene is 186.00 g/mol.
Where can I buy 3,5-Dichloro-alpha-methylstyrene?
You can request a quote for 3,5-Dichloro-alpha-methylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-alpha-methylstyrene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-alpha-methylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.