-3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester
TL;DR: -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester (CAS 57683-69-9) is a chemical compound with molecular formula C29H40O6S and molecular weight 516.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioate
Also Known As: -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester, 2,6,10-Tetradecatrienedioic acid, 3,7,11-trimethyl-13-(2-methyl-1-propenyl)-13-(phenylsulfonyl)-, dimethyl ester, (E,E,E)-, (2E,6E,10E)-3,7,11-Trimethyl-13-(2-methyl-1-propenyl)-13-(phenylsulfonyl)-2,6,10-tetradecatrienedioic acid dimethyl ester, 1,14-dimethyl (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-en-1-yl)tetradeca-2,6,10-trienedioate, dimethyl (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioate
| Molecular Formula | C29H40O6S |
|---|---|
| Molecular Weight | 516.25 g/mol |
| LogP | 6.3007 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 516.2546 |
| Heavy Atoms | 36 |
| Complexity | 1119.5554 |
Chemical Identifiers
| CAS Number | 57683-69-9 |
|---|---|
| SMILES | CC(=CC(C/C(=C/CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)/C)(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)C |
Product Overview
-3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester (CAS 57683-69-9), with molecular formula C29H40O6S and molecular weight 516.25 g/mol. IUPAC: dimethyl (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioate.
Chemical Property Profile of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester
Property Insights of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester
The XLogP value of 6.3007 indicates that -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester. Following Lipinski's Rule of Five, -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester has 0 hydrogen bond donor(s) and 6 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-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester?
The CAS number of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester is 57683-69-9.
What is the molecular formula of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester?
The molecular formula of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester is C29H40O6S.
What is the molecular weight of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester?
The molecular weight of -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester is 516.25 g/mol.
Where can I buy -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester?
You can request a quote for -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester 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-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester?
Yes, KEHONG BIO provides custom synthesis services for -3,7,11-Trimethyl-13- -13- -2,6,10-tetradecatrienedioicaciddimethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.