![Benzene, [1-(chloromethyl)propyl]- structure](/static/products/200/20068-14-8.png)
Benzene, [1-(chloromethyl)propyl]-
TL;DR: Benzene, [1-(chloromethyl)propyl]- (CAS 20068-14-8) 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.
1-chlorobutan-2-ylbenzene
Also Known As: (1-CHLOROBUTAN-2-YL)BENZENE, 2-phenylbutyl chloride, 1-chlorobutan-2-ylbenzene, 1-chloro-2-phenylbutane, Benzene, [1-(chloromethyl)propyl]-
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 20068-14-8 |
|---|---|
| SMILES | CCC(CCl)C1=CC=CC=C1 |
| InChIKey | UQDKSKMEPAASFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [1-(chloromethyl)propyl]- (CAS 20068-14-8), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-chlorobutan-2-ylbenzene.
Chemical Property Profile of Benzene, [1-(chloromethyl)propyl]-
Property Insights of Benzene, [1-(chloromethyl)propyl]-
The XLogP value of 3.5 indicates that Benzene, [1-(chloromethyl)propyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, [1-(chloromethyl)propyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [1-(chloromethyl)propyl]- 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 Benzene, [1-(chloromethyl)propyl]-?
The CAS number of Benzene, [1-(chloromethyl)propyl]- is 20068-14-8.
What is the molecular formula of Benzene, [1-(chloromethyl)propyl]-?
The molecular formula of Benzene, [1-(chloromethyl)propyl]- is C10H13Cl.
What is the molecular weight of Benzene, [1-(chloromethyl)propyl]-?
The molecular weight of Benzene, [1-(chloromethyl)propyl]- is 168.07 g/mol.
Where can I buy Benzene, [1-(chloromethyl)propyl]-?
You can request a quote for Benzene, [1-(chloromethyl)propyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [1-(chloromethyl)propyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [1-(chloromethyl)propyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.