异丁酸
TL;DR: 异丁酸 (CAS 79-31-2) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁酸
2-methylpropanoic acid
Also Known As: ISOBUTYRIC ACID, 2-Methylpropanoic acid, Isobutanoic acid, Iso-butyric acid, 2-Methylpropionic acid
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 56.0 |
| Melting Point | -46.1 °C |
| Boiling Point | 153.9 °C at 760 mmHg |
| Density | 0.949 at 20.0 °C - Less dense than water; will float |
| Solubility | 167000 |
| Flash Point | 55.6 °C (NFPA, 2010) |
| Vapor Pressure | 1.81 [mmHg] |
| Refractive Index | 1.3930 at 20 °C |
Chemical Identifiers
| CAS Number | 79-31-2 |
|---|---|
| SMILES | CC(C)C(=O)O |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁酸 (CAS 79-31-2), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: 2-methylpropanoic acid.
Chemical Property Profile of 异丁酸
Property Insights of 异丁酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 异丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁酸 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 异丁酸?
The CAS number of 异丁酸 is 79-31-2.
What is the molecular formula of 异丁酸?
The molecular formula of 异丁酸 is C4H8O2.
What is the molecular weight of 异丁酸?
The molecular weight of 异丁酸 is 88.05 g/mol.
Where can I buy 异丁酸?
You can request a quote for 异丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁酸?
Yes, KEHONG BIO provides custom synthesis services for 异丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.