2-甲基丁酸
TL;DR: 2-甲基丁酸 (CAS 116-53-0) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丁酸
2-methylbutanoic acid
Also Known As: 2-Methylbutanoic acid, 2-METHYLBUTYRIC ACID, Methylbutyric acid, DL-2-Methylbutyric acid, Butanoic acid, 2-methyl-
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| Density | 0.932-0.936 |
| Solubility | 45 mg/mL at 20 °C |
| Refractive Index | 1.404-1.408 |
Chemical Identifiers
| CAS Number | 116-53-0 |
|---|---|
| SMILES | CCC(C)C(=O)O |
| InChIKey | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丁酸 (CAS 116-53-0), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 2-methylbutanoic acid.
Chemical Property Profile of 2-甲基丁酸
Property Insights of 2-甲基丁酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁酸 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 2-甲基丁酸?
The CAS number of 2-甲基丁酸 is 116-53-0.
What is the molecular formula of 2-甲基丁酸?
The molecular formula of 2-甲基丁酸 is C5H10O2.
What is the molecular weight of 2-甲基丁酸?
The molecular weight of 2-甲基丁酸 is 102.07 g/mol.
Where can I buy 2-甲基丁酸?
You can request a quote for 2-甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.