Methyl tridecanoate
TL;DR: Methyl tridecanoate (CAS 1731-88-0) 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.
methyl tridecanoate
Also Known As: METHYL TRIDECANOATE, Tridecanoic acid, methyl ester, Methyl n-tridecanoate, Tridecanoic acid methyl ester, MethylTridecanoate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 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 | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
| Vapor Pressure | 0.00129 [mmHg] |
Chemical Identifiers
| CAS Number | 1731-88-0 |
|---|---|
| SMILES | CCCCCCCCCCCCC(=O)OC |
| InChIKey | JNDDPBOKWCBQSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl tridecanoate (CAS 1731-88-0), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: methyl tridecanoate.
Chemical Property Profile of Methyl tridecanoate
Property Insights of Methyl tridecanoate
The XLogP value of 6.3 indicates that Methyl tridecanoate 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 tridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl tridecanoate 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 tridecanoate?
The CAS number of Methyl tridecanoate is 1731-88-0.
What is the molecular formula of Methyl tridecanoate?
The molecular formula of Methyl tridecanoate is C14H28O2.
What is the molecular weight of Methyl tridecanoate?
The molecular weight of Methyl tridecanoate is 228.21 g/mol.
Where can I buy Methyl tridecanoate?
You can request a quote for Methyl tridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl tridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl tridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.