Isovaleryl chloride
TL;DR: Isovaleryl chloride (CAS 108-12-3) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutanoyl chloride
Also Known As: Isovaleryl chloride, 3-Methylbutanoyl chloride, Isovalerylchloride, Isopentanoyl chloride, Isovaleroyl chloride
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 108-12-3 |
|---|---|
| SMILES | CC(C)CC(=O)Cl |
| InChIKey | ISULZYQDGYXDFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isovaleryl chloride (CAS 108-12-3), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: 3-methylbutanoyl chloride.
Chemical Property Profile of Isovaleryl chloride
Property Insights of Isovaleryl chloride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaleryl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, Isovaleryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaleryl 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 Isovaleryl chloride?
The CAS number of Isovaleryl chloride is 108-12-3.
What is the molecular formula of Isovaleryl chloride?
The molecular formula of Isovaleryl chloride is C5H9ClO.
What is the molecular weight of Isovaleryl chloride?
The molecular weight of Isovaleryl chloride is 120.03 g/mol.
Where can I buy Isovaleryl chloride?
You can request a quote for Isovaleryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaleryl chloride?
Yes, KEHONG BIO provides custom synthesis services for Isovaleryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.