Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate
TL;DR: Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate (CAS 125197-83-3) is a chemical compound with molecular formula C20H32O2S and molecular weight 336.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate
Also Known As: M-5-Tectt, Methyl 5-thia-6,8,11,14-eicosatetraenoate, methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate, Butanoic acid,4-(1,3,6,9-pentadecatetraenylthio)-, methyl ester, (E,Z,Z,Z)- (9CI)
| Molecular Formula | C20H32O2S |
|---|---|
| Molecular Weight | 336.21 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 336.2123 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 125197-83-3 |
|---|---|
| SMILES | CCCCCC=CCC=CCC=CC=CSCCCC(=O)OC |
| InChIKey | BJKGFAXUOWQOOJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate (CAS 125197-83-3), with molecular formula C20H32O2S and molecular weight 336.21 g/mol. IUPAC: methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate.
Chemical Property Profile of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate
Property Insights of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate
The XLogP value of 6.4 indicates that Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate?
The CAS number of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate is 125197-83-3.
What is the molecular formula of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate?
The molecular formula of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate is C20H32O2S.
What is the molecular weight of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate?
The molecular weight of Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate is 336.21 g/mol.
Where can I buy Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate?
You can request a quote for Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-pentadeca-1,3,6,9-tetraenylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.