3-甲基戊酸
TL;DR: 3-甲基戊酸 (CAS 105-43-1) 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.
3-甲基戊酸
3-methylpentanoic acid
Also Known As: 3-Methylvaleric acid, 3-METHYLPENTANOIC ACID, dl-3-methylvaleric acid, Pentanoic acid, 3-methyl-, 3-methyl-pentanoic acid
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.6 |
| 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 | 78.0 |
| Boiling Point | 196.00 to 198.00 °C. @ 760.00 mm Hg |
| Density | 0.925-0.931 (20°/20°) |
| Refractive Index | 1.412-1.418 |
Chemical Identifiers
| CAS Number | 105-43-1 |
|---|---|
| SMILES | CCC(C)CC(=O)O |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基戊酸 (CAS 105-43-1), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 3-methylpentanoic acid.
Chemical Property Profile of 3-甲基戊酸
Property Insights of 3-甲基戊酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基戊酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-甲基戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基戊酸 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 3-甲基戊酸?
The CAS number of 3-甲基戊酸 is 105-43-1.
What is the molecular formula of 3-甲基戊酸?
The molecular formula of 3-甲基戊酸 is C6H12O2.
What is the molecular weight of 3-甲基戊酸?
The molecular weight of 3-甲基戊酸 is 116.08 g/mol.
Where can I buy 3-甲基戊酸?
You can request a quote for 3-甲基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.