9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester
TL;DR: 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester (CAS 84006-24-6) is a chemical compound with molecular formula C40H66O4 and molecular weight 610.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(9E,12E,15E)-octadeca-9,12,15-trienoyl]oxybutan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Also Known As: 2,3-Butanediol bis(9,12,15-octadecatrienoate), 1,2-Dimethyl-1,2-ethanediyl 9,12,15-octadecatrienoate, 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester, J3.752.430A, 3-(octadeca-9,12,15-trienoyloxy)butan-2-yl octadeca-9,12,15-trienoate
| Molecular Formula | C40H66O4 |
|---|---|
| Molecular Weight | 610.50 g/mol |
| LogP | 12.0288 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 29 |
| Exact Mass | 610.4961 |
| Heavy Atoms | 44 |
| Complexity | 775.4375 |
Chemical Identifiers
| CAS Number | 84006-24-6 |
|---|---|
| SMILES | CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(C(OC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC)C)C |
Product Overview
9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester (CAS 84006-24-6), with molecular formula C40H66O4 and molecular weight 610.50 g/mol. IUPAC: 3-[(9E,12E,15E)-octadeca-9,12,15-trienoyl]oxybutan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate.
Chemical Property Profile of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester
Property Insights of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester
The XLogP value of 12.0288 indicates that 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester 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 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The CAS number of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester is 84006-24-6.
What is the molecular formula of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular formula of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester is C40H66O4.
What is the molecular weight of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular weight of 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester is 610.50 g/mol.
Where can I buy 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester?
You can request a quote for 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9,12,15-Octadecatrienoic acid, 1,2-dimethyl-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.