-3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester
TL;DR: -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester (CAS 57683-66-6) is a chemical compound with molecular formula C22H30O4S and molecular weight 390.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trienoate
Also Known As: -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester, -3,7,11-Trimethyl-9- -2,6,10-dodecatrienoicacidmethylester, methyl (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trienoate, 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-9-(phenylsulfonyl)-, methyl ester, (E,E)-, (2E,6E)-3,7,11-Trimethyl-9-(phenylsulfonyl)-2,6,10-dodecatrienoic acid methyl ester
| Molecular Formula | C22H30O4S |
|---|---|
| Molecular Weight | 390.19 g/mol |
| LogP | 5.031 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.1865 |
| Heavy Atoms | 27 |
| Complexity | 811.12854 |
Chemical Identifiers
| CAS Number | 57683-66-6 |
|---|---|
| SMILES | CC(=CC(C/C(=C/CC/C(=C/C(=O)OC)/C)/C)S(=O)(=O)C1=CC=CC=C1)C |
Product Overview
-3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester (CAS 57683-66-6), with molecular formula C22H30O4S and molecular weight 390.19 g/mol. IUPAC: methyl (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trienoate.
Chemical Property Profile of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester
Property Insights of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester
The XLogP value of 5.031 indicates that -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester. Following Lipinski's Rule of Five, -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester 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 -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester?
The CAS number of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester is 57683-66-6.
What is the molecular formula of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester?
The molecular formula of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester is C22H30O4S.
What is the molecular weight of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester?
The molecular weight of -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester is 390.19 g/mol.
Where can I buy -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester?
You can request a quote for -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester?
Yes, KEHONG BIO provides custom synthesis services for -3,7,11-trimethyl-9-2,6,10-dodecatrienoicacidmethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.