Pentanoyl chloride, 4-methyl-
TL;DR: Pentanoyl chloride, 4-methyl- (CAS 4673-58-9) is a chemical compound with molecular formula C6H11ClO and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentanoyl chloride
Also Known As: 4-Methylvaleryl chloride, 4-methylpentanoyl chloride, Isocaproyl chloride, 4-Methylvaleroyl Chloride, Pentanoyl chloride, 4-methyl-
| Molecular Formula | C6H11ClO |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.04984 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 4673-58-9 |
|---|---|
| SMILES | CC(C)CCC(=O)Cl |
| InChIKey | SVWCVXFHTHCJJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoyl chloride, 4-methyl- (CAS 4673-58-9), with molecular formula C6H11ClO and molecular weight 134.05 g/mol. IUPAC: 4-methylpentanoyl chloride.
Chemical Property Profile of Pentanoyl chloride, 4-methyl-
Property Insights of Pentanoyl chloride, 4-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoyl chloride, 4-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Pentanoyl chloride, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoyl chloride, 4-methyl- 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 Pentanoyl chloride, 4-methyl-?
The CAS number of Pentanoyl chloride, 4-methyl- is 4673-58-9.
What is the molecular formula of Pentanoyl chloride, 4-methyl-?
The molecular formula of Pentanoyl chloride, 4-methyl- is C6H11ClO.
What is the molecular weight of Pentanoyl chloride, 4-methyl-?
The molecular weight of Pentanoyl chloride, 4-methyl- is 134.05 g/mol.
Where can I buy Pentanoyl chloride, 4-methyl-?
You can request a quote for Pentanoyl chloride, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoyl chloride, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pentanoyl chloride, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.