p-Chloroprenylbenzene
TL;DR: p-Chloroprenylbenzene (CAS 23853-76-1) 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-chloro-4-(3-methylbut-2-enyl)benzene
Also Known As: p-chloroprenylbenzene, 1-chloro-4-(3-methylbut-2-enyl)benzene, 1-Chloro-4-(3-methyl-2-butenyl)benzene, 1-CHLORO-4-(3-METHYLBUT-2-EN-1-YL)BENZENE
| Molecular Formula | C11H13Cl |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07057 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 23853-76-1 |
|---|---|
| SMILES | CC(=CCC1=CC=C(C=C1)Cl)C |
| InChIKey | QFDYBUSTOKLHBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Chloroprenylbenzene (CAS 23853-76-1), with molecular formula C11H13Cl and molecular weight 180.07 g/mol. IUPAC: 1-chloro-4-(3-methylbut-2-enyl)benzene.
Chemical Property Profile of p-Chloroprenylbenzene
Property Insights of p-Chloroprenylbenzene
The XLogP value of 4.5 indicates that p-Chloroprenylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-Chloroprenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chloroprenylbenzene 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 p-Chloroprenylbenzene?
The CAS number of p-Chloroprenylbenzene is 23853-76-1.
What is the molecular formula of p-Chloroprenylbenzene?
The molecular formula of p-Chloroprenylbenzene is C11H13Cl.
What is the molecular weight of p-Chloroprenylbenzene?
The molecular weight of p-Chloroprenylbenzene is 180.07 g/mol.
Where can I buy p-Chloroprenylbenzene?
You can request a quote for p-Chloroprenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chloroprenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for p-Chloroprenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.