2-Isopropylisovaleryl chloride
TL;DR: 2-Isopropylisovaleryl chloride (CAS 29571-64-0) is a chemical compound with molecular formula C8H15ClO and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-propan-2-ylbutanoyl chloride
Also Known As: 2-isopropylisovaleryl chloride, 2-Isopropyl-3-methyl-butyrylchloride, 2-isopropyl-3-methylbutyryl chloride, 3-methyl-2-propan-2-ylbutanoyl chloride, 2-isopropyl-3-methylbutanoyl chloride
| Molecular Formula | C8H15ClO |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.08115 |
| Heavy Atoms | 10 |
| Complexity | 110.426 |
Chemical Identifiers
| CAS Number | 29571-64-0 |
|---|---|
| SMILES | CC(C)C(C(C)C)C(=O)Cl |
Product Overview
2-Isopropylisovaleryl chloride (CAS 29571-64-0), with molecular formula C8H15ClO and molecular weight 162.08 g/mol. IUPAC: 3-methyl-2-propan-2-ylbutanoyl chloride.
Chemical Property Profile of 2-Isopropylisovaleryl chloride
Property Insights of 2-Isopropylisovaleryl chloride
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylisovaleryl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Isopropylisovaleryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylisovaleryl 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-Isopropylisovaleryl chloride?
The CAS number of 2-Isopropylisovaleryl chloride is 29571-64-0.
What is the molecular formula of 2-Isopropylisovaleryl chloride?
The molecular formula of 2-Isopropylisovaleryl chloride is C8H15ClO.
What is the molecular weight of 2-Isopropylisovaleryl chloride?
The molecular weight of 2-Isopropylisovaleryl chloride is 162.08 g/mol.
Where can I buy 2-Isopropylisovaleryl chloride?
You can request a quote for 2-Isopropylisovaleryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylisovaleryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylisovaleryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.