邻异丙基苄氯
TL;DR: 邻异丙基苄氯 (CAS 20034-71-3) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻异丙基苄氯
1-(chloromethyl)-2-propan-2-ylbenzene
Also Known As: o-(Chloromethyl)cumene, o- cumene, o-Isopropylbenzyl chloride, Cymene, 7-chloro-, Benzene, 1-(chloromethyl)-2-(1-methylethyl)-
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 20034-71-3 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1CCl |
| InChIKey | ABJGYUSFOIMJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻异丙基苄氯 (CAS 20034-71-3), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-(chloromethyl)-2-propan-2-ylbenzene.
Chemical Property Profile of 邻异丙基苄氯
Property Insights of 邻异丙基苄氯
The XLogP value of 3.4 indicates that 邻异丙基苄氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 邻异丙基苄氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻异丙基苄氯 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 邻异丙基苄氯?
The CAS number of 邻异丙基苄氯 is 20034-71-3.
What is the molecular formula of 邻异丙基苄氯?
The molecular formula of 邻异丙基苄氯 is C10H13Cl.
What is the molecular weight of 邻异丙基苄氯?
The molecular weight of 邻异丙基苄氯 is 168.07 g/mol.
Where can I buy 邻异丙基苄氯?
You can request a quote for 邻异丙基苄氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻异丙基苄氯?
Yes, KEHONG BIO provides custom synthesis services for 邻异丙基苄氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.