Crotonyl coenzyme A, Li-salt
TL;DR: Crotonyl coenzyme A, Li-salt (CAS 38795-21-0) is a chemical compound with molecular formula C25H40N7O17P3S and molecular weight 835.1414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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] but-2-enethioate
Also Known As: crotonyl-coenzyme A, S-But-2-enoylcoenzyme A, Crotonyl coenzyme A, Li-salt, 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] but-2-enethioate, S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} but-2-enethioate
Technical Specifications
| Molecular Formula | C25H40N7O17P3S |
| Molecular Weight | 835.1414 g/mol |
| XLogP | -4.8 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 835.1414 Da |
| Heavy Atoms | 53 |
| Complexity | 1460.0 |
| SMILES | CC=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 | KFWWCMJSYSSPSK-UHFFFAOYSA-N |
Product Description
Applications: Crotonyl coenzyme A, Li-salt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Crotonyl coenzyme A, Li-salt is a fine chemical identified by CAS number 38795-21-0 and the molecular formula C25H40N7O17P3S and a molecular weight of 835.14 g/mol. Synonyms include crotonyl-coenzyme A and S-But-2-enoylcoenzyme A.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Crotonyl coenzyme A, Li-salt
Property Insights of Crotonyl coenzyme A, Li-salt
The XLogP value of -4.8 indicates that Crotonyl coenzyme A, Li-salt 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, Li-salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crotonyl coenzyme A, Li-salt has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Crotonyl coenzyme A, Li-salt?
The CAS number of Crotonyl coenzyme A, Li-salt is 38795-21-0.
What is the molecular formula of Crotonyl coenzyme A, Li-salt?
The molecular formula of Crotonyl coenzyme A, Li-salt is C25H40N7O17P3S.
What is the molecular weight of Crotonyl coenzyme A, Li-salt?
The molecular weight of Crotonyl coenzyme A, Li-salt is 835.1414 g/mol.
What are the applications of Crotonyl coenzyme A, Li-salt?
Crotonyl coenzyme A, Li-salt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy Crotonyl coenzyme A, Li-salt?
You can request a quote for Crotonyl coenzyme A, Li-salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Crotonyl coenzyme A, Li-salt?
Yes, CoreyChem provides custom synthesis services for Crotonyl coenzyme A, Li-salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.