异己酸
TL;DR: 异己酸 (CAS 646-07-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异己酸
4-methylpentanoic acid
Also Known As: 4-Methylvaleric acid, Isocaproic acid, 4-METHYLPENTANOIC ACID, Isohexanoic acid, Isobutylacetic acid
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Melting Point | -33 °C |
| Boiling Point | 199.00 to 201.00 °C. @ 760.00 mm Hg |
| Density | 0.919-0.926 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | 1.412-1.417 |
Chemical Identifiers
| CAS Number | 646-07-1 |
|---|---|
| SMILES | CC(C)CCC(=O)O |
| InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异己酸 (CAS 646-07-1), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 4-methylpentanoic acid.
Chemical Property Profile of 异己酸
Property Insights of 异己酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异己酸. With a topological polar surface area (TPSA) of 37.3 Ų, 异己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异己酸 has 1 hydrogen bond donor(s) and 2 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 异己酸?
The CAS number of 异己酸 is 646-07-1.
What is the molecular formula of 异己酸?
The molecular formula of 异己酸 is C6H12O2.
What is the molecular weight of 异己酸?
The molecular weight of 异己酸 is 116.08 g/mol.
Where can I buy 异己酸?
You can request a quote for 异己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异己酸?
Yes, KEHONG BIO provides custom synthesis services for 异己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.