2-(4-Chlorophenyl)-3-methylbutanoyl chloride
TL;DR: 2-(4-Chlorophenyl)-3-methylbutanoyl chloride (CAS 51631-50-6) is a chemical compound with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-methylbutanoyl chloride
Also Known As: 3-Methyl-2-(4-chlorophenyl)butyryl chloride, 2-(4-chlorophenyl)-3-methylbutanoyl chloride, Isopropyl(4-chlorophenyl)acetyl chloride, 2-(4-Chlorophenyl)-3-methylbutyryl chloride, 2-(4-Chlorophenyl)isovaleryl chloride
| Molecular Formula | C11H12Cl2O |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 3.845 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.02652 |
| Heavy Atoms | 14 |
| Complexity | 316.56433 |
Chemical Identifiers
| CAS Number | 51631-50-6 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)Cl |
Product Overview
2-(4-Chlorophenyl)-3-methylbutanoyl chloride (CAS 51631-50-6), with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol. IUPAC: 2-(4-chlorophenyl)-3-methylbutanoyl chloride.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride
Property Insights of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride
The XLogP value of 3.845 indicates that 2-(4-Chlorophenyl)-3-methylbutanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-(4-Chlorophenyl)-3-methylbutanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-methylbutanoyl chloride has 0 hydrogen bond donor(s) and 1 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-(4-Chlorophenyl)-3-methylbutanoyl chloride?
The CAS number of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride is 51631-50-6.
What is the molecular formula of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride?
The molecular formula of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride is C11H12Cl2O.
What is the molecular weight of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride?
The molecular weight of 2-(4-Chlorophenyl)-3-methylbutanoyl chloride is 230.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-methylbutanoyl chloride?
You can request a quote for 2-(4-Chlorophenyl)-3-methylbutanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-methylbutanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-methylbutanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.