3-Hydroxybutyrylpantetheine
TL;DR: 3-Hydroxybutyrylpantetheine (CAS 120497-19-0) is a chemical compound with molecular formula C15H28N2O6S and molecular weight 364.1668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxybutanethioate
Also Known As: 3-Hbptt, 3-Hydroxybutyrylpantetheine, S-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxybutanethioate, (2R)-2,4-Dihydroxy-N-{3-hydroxy-3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)imino]propyl}-3,3-dimethylbutanimidic acid, 2,4-Dihydroxy-N-[3-hydroxy-3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}imino)propyl]-3,3-dimethylbutanimidic acid
Technical Specifications
| Molecular Formula | C15H28N2O6S |
| Molecular Weight | 364.1668 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 364.1668 Da |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
| SMILES | C[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O |
| InChIKey | NWWCNMDNUHGBRK-GWCFXTLKSA-N |
Chemical Property Profile of 3-Hydroxybutyrylpantetheine
Property Insights of 3-Hydroxybutyrylpantetheine
The XLogP value of -1.2 indicates that 3-Hydroxybutyrylpantetheine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 3-Hydroxybutyrylpantetheine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxybutyrylpantetheine has 5 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 3-Hydroxybutyrylpantetheine?
The CAS number of 3-Hydroxybutyrylpantetheine is 120497-19-0.
What is the molecular formula of 3-Hydroxybutyrylpantetheine?
The molecular formula of 3-Hydroxybutyrylpantetheine is C15H28N2O6S.
What is the molecular weight of 3-Hydroxybutyrylpantetheine?
The molecular weight of 3-Hydroxybutyrylpantetheine is 364.1668 g/mol.
Where can I buy 3-Hydroxybutyrylpantetheine?
You can request a quote for 3-Hydroxybutyrylpantetheine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxybutyrylpantetheine?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxybutyrylpantetheine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.