Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
TL;DR: Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate (CAS 74367-17-2) is a chemical compound with molecular formula C27H38O4S and molecular weight 458.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
Also Known As: 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-9-(phenylsulfonyl)-, methyl ester, (E,E,E)-, 2,6,10,14-Hexadecatetraenoicacid, 3,7,11,15-tetramethyl-9-(phenylsulfonyl)-, methyl ester, (E,E,E)- (9CI)
| Molecular Formula | C27H38O4S |
|---|---|
| Molecular Weight | 458.25 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 458.24908 |
| Heavy Atoms | 32 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 74367-17-2 |
|---|---|
| SMILES | CC(=CCCC(=CC(CC(=CCCC(=CC(=O)OC)C)C)S(=O)(=O)C1=CC=CC=C1)C)C |
| InChIKey | HMFVXJVBBCCPTR-UHFFFAOYSA-N |
Product Overview
Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate (CAS 74367-17-2), with molecular formula C27H38O4S and molecular weight 458.25 g/mol. IUPAC: methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate.
Chemical Property Profile of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
Property Insights of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
The XLogP value of 7.6 indicates that Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate. Following Lipinski's Rule of Five, Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate?
The CAS number of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate is 74367-17-2.
What is the molecular formula of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate?
The molecular formula of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate is C27H38O4S.
What is the molecular weight of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate?
The molecular weight of Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate is 458.25 g/mol.
Where can I buy Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate?
You can request a quote for Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.