Crotonyl coenzyme A
TL;DR: Crotonyl coenzyme A (CAS 992-67-6) 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] but-2-enethioate
Also Known As: crotonyl-coenzyme A, crotonyl-CoA, Coenzyme A, crotonyl-, S-But-2-enoylcoenzyme A, CROTONYL COENZYME A
| Molecular Formula | C25H40N7O17P3S |
|---|---|
| Molecular Weight | 835.14 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 835.1414 |
| Heavy Atoms | 53 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 992-67-6 |
|---|---|
| SMILES | CC=CC(=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 |
| InChIKey | KFWWCMJSYSSPSK-XBTRWLRFSA-N |
Product Overview
Crotonyl coenzyme A (CAS 992-67-6), 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] but-2-enethioate.
Chemical Property Profile of Crotonyl coenzyme A
Property Insights of Crotonyl coenzyme A
The XLogP value of -4.8 indicates that Crotonyl 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 Crotonyl coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crotonyl 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 Crotonyl coenzyme A?
The CAS number of Crotonyl coenzyme A is 992-67-6.
What is the molecular formula of Crotonyl coenzyme A?
The molecular formula of Crotonyl coenzyme A is C25H40N7O17P3S.
What is the molecular weight of Crotonyl coenzyme A?
The molecular weight of Crotonyl coenzyme A is 835.14 g/mol.
Where can I buy Crotonyl coenzyme A?
You can request a quote for Crotonyl coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonyl coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Crotonyl coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.