vaccenoyl-coenzyme A
TL;DR: vaccenoyl-coenzyme A (CAS 13673-88-6) is a chemical compound with molecular formula C39H68N7O17P3S and molecular weight 1031.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-octadec-11-enethioate
Also Known As: Vaccenoyl-coenzyme A, Vaccenoyl-coa, Coenzyme A, vaccenoyl-, Coenzyme A, S-11-octadecenoate, Vaccenoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C39H68N7O17P3S |
|---|---|
| Molecular Weight | 1031.36 g/mol |
| LogP | 4.7022 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 34 |
| Exact Mass | 1031.3605 |
| Heavy Atoms | 67 |
| Complexity | 2043.3339 |
Chemical Identifiers
| CAS Number | 13673-88-6 |
|---|---|
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
vaccenoyl-coenzyme A (CAS 13673-88-6), with molecular formula C39H68N7O17P3S and molecular weight 1031.36 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-octadec-11-enethioate.
Chemical Property Profile of vaccenoyl-coenzyme A
Property Insights of vaccenoyl-coenzyme A
The XLogP value of 4.7022 indicates that vaccenoyl-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 vaccenoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, vaccenoyl-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 vaccenoyl-coenzyme A?
The CAS number of vaccenoyl-coenzyme A is 13673-88-6.
What is the molecular formula of vaccenoyl-coenzyme A?
The molecular formula of vaccenoyl-coenzyme A is C39H68N7O17P3S.
What is the molecular weight of vaccenoyl-coenzyme A?
The molecular weight of vaccenoyl-coenzyme A is 1031.36 g/mol.
Where can I buy vaccenoyl-coenzyme A?
You can request a quote for vaccenoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vaccenoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for vaccenoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.