Cumene, beta-chloro-
TL;DR: Cumene, beta-chloro- (CAS 824-47-5) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropropan-2-ylbenzene
Also Known As: Cumene, .beta.-chloro-, (1-Chloropropan-2-yl)benzene, beta-Chlorocumene, 1-Chloro-2-phenylpropane, .beta.-Chlorocumene
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 824-47-5 |
|---|---|
| SMILES | CC(CCl)C1=CC=CC=C1 |
| InChIKey | SXVRSCIZJBGJGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cumene, beta-chloro- (CAS 824-47-5), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 1-chloropropan-2-ylbenzene.
Chemical Property Profile of Cumene, beta-chloro-
Property Insights of Cumene, beta-chloro-
The XLogP value of 3.7 indicates that Cumene, beta-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cumene, beta-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cumene, beta-chloro- 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 Cumene, beta-chloro-?
The CAS number of Cumene, beta-chloro- is 824-47-5.
What is the molecular formula of Cumene, beta-chloro-?
The molecular formula of Cumene, beta-chloro- is C9H11Cl.
What is the molecular weight of Cumene, beta-chloro-?
The molecular weight of Cumene, beta-chloro- is 154.05 g/mol.
Where can I buy Cumene, beta-chloro-?
You can request a quote for Cumene, beta-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cumene, beta-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Cumene, beta-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.