2-甲基辛酸
TL;DR: 2-甲基辛酸 (CAS 3004-93-1) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基辛酸
2-methyloctanoic acid
Also Known As: 2-Methyloctanoic acid, 2-methyl-octanoic acid, Octanoic acid, 2-methyl-, 2-Methyloctanoicacid, 2-methyl octanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 3004-93-1 |
|---|---|
| SMILES | CCCCCCC(C)C(=O)O |
| InChIKey | YSEQNZOXHCKLOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基辛酸 (CAS 3004-93-1), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-methyloctanoic acid.
Chemical Property Profile of 2-甲基辛酸
Property Insights of 2-甲基辛酸
The XLogP value of 3.4 indicates that 2-甲基辛酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基辛酸 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-甲基辛酸?
The CAS number of 2-甲基辛酸 is 3004-93-1.
What is the molecular formula of 2-甲基辛酸?
The molecular formula of 2-甲基辛酸 is C9H18O2.
What is the molecular weight of 2-甲基辛酸?
The molecular weight of 2-甲基辛酸 is 158.13 g/mol.
Where can I buy 2-甲基辛酸?
You can request a quote for 2-甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.