2-甲基庚酸
TL;DR: 2-甲基庚酸 (CAS 1188-02-9) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基庚酸
2-methylheptanoic acid
Also Known As: 2-METHYLHEPTANOIC ACID, 2-Methylenanthic acid, Methylamylacetic acid, Heptanoic acid, 2-methyl-, 2-methyl-heptanoicaci
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | 15.00 °C. @ 760.00 mm Hg |
| Boiling Point | 140.00 °C. @ 30.00 mm Hg |
| Density | 0.899-0.905 |
| Solubility | very slightly |
| Refractive Index | 1.420-1.427 |
Chemical Identifiers
| CAS Number | 1188-02-9 |
|---|---|
| SMILES | CCCCCC(C)C(=O)O |
| InChIKey | NKBWMBRPILTCRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基庚酸 (CAS 1188-02-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-methylheptanoic acid.
Chemical Property Profile of 2-甲基庚酸
Property Insights of 2-甲基庚酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基庚酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-甲基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基庚酸 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-甲基庚酸?
The CAS number of 2-甲基庚酸 is 1188-02-9.
What is the molecular formula of 2-甲基庚酸?
The molecular formula of 2-甲基庚酸 is C8H16O2.
What is the molecular weight of 2-甲基庚酸?
The molecular weight of 2-甲基庚酸 is 144.12 g/mol.
Where can I buy 2-甲基庚酸?
You can request a quote for 2-甲基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.