Methyl 3-methyltridecanoate
TL;DR: Methyl 3-methyltridecanoate (CAS 2412-84-2) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyltridecanoate
Also Known As: Methyl 3-methyltridecanoate, Methyl 3-methyltridecanoate #, 3-Methyltridecanoicacidmethylester, Tridecanoic acid, 3-methyl-, methyl ester, 3-Methyltridecanoic acid methyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2412-84-2 |
|---|---|
| SMILES | CCCCCCCCCCC(C)CC(=O)OC |
| InChIKey | FFBFHGJWMSIJET-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyltridecanoate (CAS 2412-84-2), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: methyl 3-methyltridecanoate.
Chemical Property Profile of Methyl 3-methyltridecanoate
Property Insights of Methyl 3-methyltridecanoate
The XLogP value of 6.3 indicates that Methyl 3-methyltridecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methyltridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyltridecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-methyltridecanoate?
The CAS number of Methyl 3-methyltridecanoate is 2412-84-2.
What is the molecular formula of Methyl 3-methyltridecanoate?
The molecular formula of Methyl 3-methyltridecanoate is C15H30O2.
What is the molecular weight of Methyl 3-methyltridecanoate?
The molecular weight of Methyl 3-methyltridecanoate is 242.22 g/mol.
Where can I buy Methyl 3-methyltridecanoate?
You can request a quote for Methyl 3-methyltridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyltridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyltridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.