![Benzene, [4-chloro-3-methylbutyl] structure](/static/products/491/4912-91-8.png)
Benzene, [4-chloro-3-methylbutyl]
TL;DR: Benzene, [4-chloro-3-methylbutyl] (CAS 4912-91-8) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methylbutyl)benzene
Also Known As: (3-methyl-4-chlorobutyl)benzene, Benzene, [4-chloro-3-methylbutyl], (4-chloro-3-methylbutyl)benzene
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 4912-91-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)CCl |
| InChIKey | QVCQBXBVPKFMPZ-UHFFFAOYSA-N |
Product Overview
Benzene, [4-chloro-3-methylbutyl] (CAS 4912-91-8), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: (4-chloro-3-methylbutyl)benzene.
Chemical Property Profile of Benzene, [4-chloro-3-methylbutyl]
Property Insights of Benzene, [4-chloro-3-methylbutyl]
The XLogP value of 3.9 indicates that Benzene, [4-chloro-3-methylbutyl] 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, [4-chloro-3-methylbutyl] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [4-chloro-3-methylbutyl] 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, [4-chloro-3-methylbutyl]?
The CAS number of Benzene, [4-chloro-3-methylbutyl] is 4912-91-8.
What is the molecular formula of Benzene, [4-chloro-3-methylbutyl]?
The molecular formula of Benzene, [4-chloro-3-methylbutyl] is C11H15Cl.
What is the molecular weight of Benzene, [4-chloro-3-methylbutyl]?
The molecular weight of Benzene, [4-chloro-3-methylbutyl] is 182.09 g/mol.
Where can I buy Benzene, [4-chloro-3-methylbutyl]?
You can request a quote for Benzene, [4-chloro-3-methylbutyl] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [4-chloro-3-methylbutyl]?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [4-chloro-3-methylbutyl] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.