3-Methyltridecanoic acid
TL;DR: 3-Methyltridecanoic acid (CAS 58055-52-0) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyltridecanoic acid
Also Known As: 3-methyltridecanoic acid, 3-methyl-tridecanoic acid, Tridecanoic acid, 3-methyl-, 1,5-dimethyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-ol
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.628 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 166.11827 |
Chemical Identifiers
| CAS Number | 58055-52-0 |
|---|---|
| SMILES | CCCCCCCCCCC(C)CC(=O)O |
Product Overview
3-Methyltridecanoic acid (CAS 58055-52-0), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 3-methyltridecanoic acid.
Chemical Property Profile of 3-Methyltridecanoic acid
Property Insights of 3-Methyltridecanoic acid
The XLogP value of 4.628 indicates that 3-Methyltridecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyltridecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyltridecanoic acid has 1 hydrogen bond donor(s) and 1 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-Methyltridecanoic acid?
The CAS number of 3-Methyltridecanoic acid is 58055-52-0.
What is the molecular formula of 3-Methyltridecanoic acid?
The molecular formula of 3-Methyltridecanoic acid is C14H28O2.
What is the molecular weight of 3-Methyltridecanoic acid?
The molecular weight of 3-Methyltridecanoic acid is 228.21 g/mol.
Where can I buy 3-Methyltridecanoic acid?
You can request a quote for 3-Methyltridecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyltridecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyltridecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.