2-Butenoyl coenzyme A
TL;DR: 2-Butenoyl coenzyme A (CAS 6316-10-5) is a chemical compound with molecular formula C25H40N7O17P3S and molecular weight 835.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[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] (E)-but-2-enethioate
Also Known As: crotonoyl-CoA, crotonyl-CoA, Crotonoyl CoA, 2-butenoyl-CoA, but-2-enoyl-CoA
| Molecular Formula | C25H40N7O17P3S |
|---|---|
| Molecular Weight | 835.14 g/mol |
| LogP | -0.7592 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 835.1414 |
| Heavy Atoms | 53 |
| Complexity | 1792.2924 |
Chemical Identifiers
| CAS Number | 6316-10-5 |
|---|---|
| SMILES | C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(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
2-Butenoyl coenzyme A (CAS 6316-10-5), with molecular formula C25H40N7O17P3S and molecular weight 835.14 g/mol. IUPAC: S-[2-[3-[[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] (E)-but-2-enethioate.
Chemical Property Profile of 2-Butenoyl coenzyme A
Property Insights of 2-Butenoyl coenzyme A
The XLogP value of -0.7592 indicates that 2-Butenoyl coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.63 Ų indicates high polarity, suggesting 2-Butenoyl coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Butenoyl 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 2-Butenoyl coenzyme A?
The CAS number of 2-Butenoyl coenzyme A is 6316-10-5.
What is the molecular formula of 2-Butenoyl coenzyme A?
The molecular formula of 2-Butenoyl coenzyme A is C25H40N7O17P3S.
What is the molecular weight of 2-Butenoyl coenzyme A?
The molecular weight of 2-Butenoyl coenzyme A is 835.14 g/mol.
Where can I buy 2-Butenoyl coenzyme A?
You can request a quote for 2-Butenoyl 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-Butenoyl coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoyl coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.