4-(3-Chloropropyl)styrene
TL;DR: 4-(3-Chloropropyl)styrene (CAS 97344-49-5) is a chemical compound with molecular formula C11H13Cl and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)-4-ethenylbenzene
Also Known As: 4-(3-Chloropropyl)styrene, 1-(3-chloropropyl)-4-ethenylbenzene, 4-(3-Chloropropyl)-styrene, 1-(3-Chloropropyl)-4-vinylbenzene, 1-(3-chloropropyl)-4-ethenyl-benzene
| Molecular Formula | C11H13Cl |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07057 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 97344-49-5 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)CCCCl |
| InChIKey | NTBQZBPZGVORFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Chloropropyl)styrene (CAS 97344-49-5), with molecular formula C11H13Cl and molecular weight 180.07 g/mol. IUPAC: 1-(3-chloropropyl)-4-ethenylbenzene.
Chemical Property Profile of 4-(3-Chloropropyl)styrene
Property Insights of 4-(3-Chloropropyl)styrene
The XLogP value of 3.9 indicates that 4-(3-Chloropropyl)styrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(3-Chloropropyl)styrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloropropyl)styrene 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 4-(3-Chloropropyl)styrene?
The CAS number of 4-(3-Chloropropyl)styrene is 97344-49-5.
What is the molecular formula of 4-(3-Chloropropyl)styrene?
The molecular formula of 4-(3-Chloropropyl)styrene is C11H13Cl.
What is the molecular weight of 4-(3-Chloropropyl)styrene?
The molecular weight of 4-(3-Chloropropyl)styrene is 180.07 g/mol.
Where can I buy 4-(3-Chloropropyl)styrene?
You can request a quote for 4-(3-Chloropropyl)styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloropropyl)styrene?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloropropyl)styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.