3-Butynoylpantetheine
TL;DR: 3-Butynoylpantetheine (CAS 29315-43-3) is a chemical compound with molecular formula C15H24N2O5S and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyl] but-2-ynethioate
Also Known As: 3-Butynoylpantetheine, S-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyl] but-2-ynethioate, s-(2-{[n-(2,4-dihydroxy-3,3-dimethylbutanoyl)-, A-alanyl]amino}ethyl) but-2-ynethioate, 2-Butynethioic acid, S-(2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl) ester
| Molecular Formula | C15H24N2O5S |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 344.1406 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 29315-43-3 |
|---|---|
| SMILES | CC#CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O |
| InChIKey | YKAMKQGIIXZWEY-UHFFFAOYSA-N |
Product Overview
3-Butynoylpantetheine (CAS 29315-43-3), with molecular formula C15H24N2O5S and molecular weight 344.14 g/mol. IUPAC: S-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyl] but-2-ynethioate.
Chemical Property Profile of 3-Butynoylpantetheine
Property Insights of 3-Butynoylpantetheine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butynoylpantetheine. The TPSA of 141.0 Ų indicates high polarity, suggesting 3-Butynoylpantetheine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Butynoylpantetheine has 4 hydrogen bond donor(s) and 6 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-Butynoylpantetheine?
The CAS number of 3-Butynoylpantetheine is 29315-43-3.
What is the molecular formula of 3-Butynoylpantetheine?
The molecular formula of 3-Butynoylpantetheine is C15H24N2O5S.
What is the molecular weight of 3-Butynoylpantetheine?
The molecular weight of 3-Butynoylpantetheine is 344.14 g/mol.
Where can I buy 3-Butynoylpantetheine?
You can request a quote for 3-Butynoylpantetheine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butynoylpantetheine?
Yes, KEHONG BIO provides custom synthesis services for 3-Butynoylpantetheine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.