12-Tridecynoic acid, methyl ester
TL;DR: 12-Tridecynoic acid, methyl ester (CAS 56909-01-4) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl tridec-12-ynoate
Also Known As: methyl tridec-12-ynoate, Methyl 12-tridecynoate, 12-Tridecynoic acid, methyl ester, 12-Tridecynoicacidmethylester, Methyl 12-tridecynoate #
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 56909-01-4 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCC#C |
| InChIKey | LLYUQTVONAGBRD-UHFFFAOYSA-N |
Product Overview
12-Tridecynoic acid, methyl ester (CAS 56909-01-4), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: methyl tridec-12-ynoate.
Chemical Property Profile of 12-Tridecynoic acid, methyl ester
Property Insights of 12-Tridecynoic acid, methyl ester
The XLogP value of 4.8 indicates that 12-Tridecynoic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 12-Tridecynoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Tridecynoic acid, methyl ester has 0 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 12-Tridecynoic acid, methyl ester?
The CAS number of 12-Tridecynoic acid, methyl ester is 56909-01-4.
What is the molecular formula of 12-Tridecynoic acid, methyl ester?
The molecular formula of 12-Tridecynoic acid, methyl ester is C14H24O2.
What is the molecular weight of 12-Tridecynoic acid, methyl ester?
The molecular weight of 12-Tridecynoic acid, methyl ester is 224.18 g/mol.
Where can I buy 12-Tridecynoic acid, methyl ester?
You can request a quote for 12-Tridecynoic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Tridecynoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 12-Tridecynoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.