2-octynoyl-coenzyme A
TL;DR: 2-octynoyl-coenzyme A (CAS 2633-03-6) is a chemical compound with molecular formula C29H46N7O17P3S and molecular weight 889.19 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] oct-2-ynethioate
Also Known As: 2-Octynoyl-coa, Coenzyme A, 2-octynoyl-, 2-Octynoyl-coenzyme A, Coenzyme A, S-2-octynoate, 2-Octynoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C29H46N7O17P3S |
|---|---|
| Molecular Weight | 889.19 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 889.18835 |
| Heavy Atoms | 57 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 2633-03-6 |
|---|---|
| SMILES | CCCCCC#CC(=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 |
| InChIKey | JPHVSRAAJZRNIM-UHFFFAOYSA-N |
Product Overview
2-octynoyl-coenzyme A (CAS 2633-03-6), with molecular formula C29H46N7O17P3S and molecular weight 889.19 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] oct-2-ynethioate.
Chemical Property Profile of 2-octynoyl-coenzyme A
Property Insights of 2-octynoyl-coenzyme A
The XLogP value of -2.6 indicates that 2-octynoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 2-octynoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-octynoyl-coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-octynoyl-coenzyme A?
The CAS number of 2-octynoyl-coenzyme A is 2633-03-6.
What is the molecular formula of 2-octynoyl-coenzyme A?
The molecular formula of 2-octynoyl-coenzyme A is C29H46N7O17P3S.
What is the molecular weight of 2-octynoyl-coenzyme A?
The molecular weight of 2-octynoyl-coenzyme A is 889.19 g/mol.
Where can I buy 2-octynoyl-coenzyme A?
You can request a quote for 2-octynoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-octynoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 2-octynoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.