Linoleoyl-coenzyme A
TL;DR: Linoleoyl-coenzyme A (CAS 40780-14-1) is a chemical compound with molecular formula C39H66N7O17P3S and molecular weight 1029.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (9E,12E)-octadeca-9,12-dienethioate
Also Known As: Linoleoyl-coenzyme A, linoleoyl-CoA, Coenzyme A, linoleoyl-, LINOLENOYL-COA, Coenzyme A, S-9,12-octadecadienoate-
| Molecular Formula | C39H66N7O17P3S |
|---|---|
| Molecular Weight | 1029.34 g/mol |
| LogP | 4.4782 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 33 |
| Exact Mass | 1029.3448 |
| Heavy Atoms | 67 |
| Complexity | 2090.9187 |
Chemical Identifiers
| CAS Number | 40780-14-1 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
Linoleoyl-coenzyme A (CAS 40780-14-1), with molecular formula C39H66N7O17P3S and molecular weight 1029.34 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (9E,12E)-octadeca-9,12-dienethioate.
Chemical Property Profile of Linoleoyl-coenzyme A
Property Insights of Linoleoyl-coenzyme A
The XLogP value of 4.4782 indicates that Linoleoyl-coenzyme A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 363.63 Ų indicates high polarity, suggesting Linoleoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Linoleoyl-coenzyme A has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linoleoyl-coenzyme A?
The CAS number of Linoleoyl-coenzyme A is 40780-14-1.
What is the molecular formula of Linoleoyl-coenzyme A?
The molecular formula of Linoleoyl-coenzyme A is C39H66N7O17P3S.
What is the molecular weight of Linoleoyl-coenzyme A?
The molecular weight of Linoleoyl-coenzyme A is 1029.34 g/mol.
Where can I buy Linoleoyl-coenzyme A?
You can request a quote for Linoleoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linoleoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Linoleoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.