(2-Chlorobutan-2-yl)benzene
TL;DR: (2-Chlorobutan-2-yl)benzene (CAS 6798-24-9) 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.
2-chlorobutan-2-ylbenzene
Also Known As: (2-chlorobutan-2-yl)benzene, 2-chlorobutan-2-ylbenzene, 2-chloro-2-phenylbutane, methylethylphenylchloromethane, RefChem:205921
| 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 | 116.0 |
Chemical Identifiers
| CAS Number | 6798-24-9 |
|---|---|
| SMILES | CCC(C)(C1=CC=CC=C1)Cl |
| InChIKey | PVPAMCTVDFXDNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chlorobutan-2-yl)benzene (CAS 6798-24-9), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 2-chlorobutan-2-ylbenzene.
Chemical Property Profile of (2-Chlorobutan-2-yl)benzene
Property Insights of (2-Chlorobutan-2-yl)benzene
The XLogP value of 3.4 indicates that (2-Chlorobutan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2-Chlorobutan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chlorobutan-2-yl)benzene 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 (2-Chlorobutan-2-yl)benzene?
The CAS number of (2-Chlorobutan-2-yl)benzene is 6798-24-9.
What is the molecular formula of (2-Chlorobutan-2-yl)benzene?
The molecular formula of (2-Chlorobutan-2-yl)benzene is C10H13Cl.
What is the molecular weight of (2-Chlorobutan-2-yl)benzene?
The molecular weight of (2-Chlorobutan-2-yl)benzene is 168.07 g/mol.
Where can I buy (2-Chlorobutan-2-yl)benzene?
You can request a quote for (2-Chlorobutan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorobutan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorobutan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.