acryl-S-pantetheine-11-pivalate
TL;DR: acryl-S-pantetheine-11-pivalate (CAS 13930-08-0) is a chemical compound with molecular formula C19H32N2O6S and molecular weight 416.19812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-prop-2-enoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate
Also Known As: Acryl-spp, Acryl-S-pantetheine-11-pivalate, KST-1A1278, (3r)-4-[(3-{[2-(acryloylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl 2,2-dimethylpropanoate, [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-prop-2-enoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate
Technical Specifications
| Molecular Formula | C19H32N2O6S |
| Molecular Weight | 416.19812 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 416.19812 Da |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
| SMILES | CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=C)O |
| InChIKey | VTOUEJHZFCIFDO-HNNXBMFYSA-N |
Chemical Property Profile of acryl-S-pantetheine-11-pivalate
Property Insights of acryl-S-pantetheine-11-pivalate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acryl-S-pantetheine-11-pivalate. The TPSA of 147.0 Ų indicates high polarity, suggesting acryl-S-pantetheine-11-pivalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, acryl-S-pantetheine-11-pivalate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of acryl-S-pantetheine-11-pivalate?
The CAS number of acryl-S-pantetheine-11-pivalate is 13930-08-0.
What is the molecular formula of acryl-S-pantetheine-11-pivalate?
The molecular formula of acryl-S-pantetheine-11-pivalate is C19H32N2O6S.
What is the molecular weight of acryl-S-pantetheine-11-pivalate?
The molecular weight of acryl-S-pantetheine-11-pivalate is 416.19812 g/mol.
Where can I buy acryl-S-pantetheine-11-pivalate?
You can request a quote for acryl-S-pantetheine-11-pivalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for acryl-S-pantetheine-11-pivalate?
Yes, CoreyChem provides custom synthesis services for acryl-S-pantetheine-11-pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.