3-pentynoyl-S-pantetheine-11-pivalate
TL;DR: 3-pentynoyl-S-pantetheine-11-pivalate (CAS 119072-37-6) is a chemical compound with molecular formula C21H34N2O6S and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-pent-3-ynoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate
Also Known As: 3-Pentynoyl-spp, 3-Pentynoyl-S-pantetheine-11-pivalate, [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-pent-3-ynoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate, Propanoic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((1-oxo-3-pentynyl)thio)ethyl)amino)propyl)amino)butyl ester, (R)-, (3R)-3-Hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(pent-3-ynoyl)sulfanyl]ethyl}amino)propyl]amino}butyl 2,2-dimethylpropanoate
| Molecular Formula | C21H34N2O6S |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 1.2585 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 442.21375 |
| Heavy Atoms | 30 |
| Complexity | 673.20966 |
Chemical Identifiers
| CAS Number | 119072-37-6 |
|---|---|
| SMILES | CC#CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O |
Product Overview
3-pentynoyl-S-pantetheine-11-pivalate (CAS 119072-37-6), with molecular formula C21H34N2O6S and molecular weight 442.21 g/mol. IUPAC: [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-pent-3-ynoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate.
Chemical Property Profile of 3-pentynoyl-S-pantetheine-11-pivalate
Property Insights of 3-pentynoyl-S-pantetheine-11-pivalate
The XLogP value of 1.2585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pentynoyl-S-pantetheine-11-pivalate. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pentynoyl-S-pantetheine-11-pivalate. Following Lipinski's Rule of Five, 3-pentynoyl-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
Frequently Asked Questions
What is the CAS number of 3-pentynoyl-S-pantetheine-11-pivalate?
The CAS number of 3-pentynoyl-S-pantetheine-11-pivalate is 119072-37-6.
What is the molecular formula of 3-pentynoyl-S-pantetheine-11-pivalate?
The molecular formula of 3-pentynoyl-S-pantetheine-11-pivalate is C21H34N2O6S.
What is the molecular weight of 3-pentynoyl-S-pantetheine-11-pivalate?
The molecular weight of 3-pentynoyl-S-pantetheine-11-pivalate is 442.21 g/mol.
Where can I buy 3-pentynoyl-S-pantetheine-11-pivalate?
You can request a quote for 3-pentynoyl-S-pantetheine-11-pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pentynoyl-S-pantetheine-11-pivalate?
Yes, KEHONG BIO provides custom synthesis services for 3-pentynoyl-S-pantetheine-11-pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.