Propionic acid, 3-(allylthio)-, tert-butyl ester
TL;DR: Propionic acid, 3-(allylthio)-, tert-butyl ester (CAS 24382-62-5) is a chemical compound with molecular formula C10H18O2S and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-prop-2-enylsulfanylpropanoate
Also Known As: tert-butyl 3-(allylthio)propanoate, tert-Butyl 3-(allylsulfanyl)propanoate, tert-Butyl 3-(allylsulfanyl)propanoate #, tert-butyl 3-prop-2-enylsulfanylpropanoate, 3-(Allylthio)propionic acid tert-butyl ester
| Molecular Formula | C10H18O2S |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.10275 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 24382-62-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCSCC=C |
| InChIKey | OIBRVXJGZBHPFT-UHFFFAOYSA-N |
Product Overview
Propionic acid, 3-(allylthio)-, tert-butyl ester (CAS 24382-62-5), with molecular formula C10H18O2S and molecular weight 202.10 g/mol. IUPAC: tert-butyl 3-prop-2-enylsulfanylpropanoate.
Chemical Property Profile of Propionic acid, 3-(allylthio)-, tert-butyl ester
Property Insights of Propionic acid, 3-(allylthio)-, tert-butyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 3-(allylthio)-, tert-butyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Propionic acid, 3-(allylthio)-, tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 3-(allylthio)-, tert-butyl ester has 0 hydrogen bond donor(s) and 3 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 Propionic acid, 3-(allylthio)-, tert-butyl ester?
The CAS number of Propionic acid, 3-(allylthio)-, tert-butyl ester is 24382-62-5.
What is the molecular formula of Propionic acid, 3-(allylthio)-, tert-butyl ester?
The molecular formula of Propionic acid, 3-(allylthio)-, tert-butyl ester is C10H18O2S.
What is the molecular weight of Propionic acid, 3-(allylthio)-, tert-butyl ester?
The molecular weight of Propionic acid, 3-(allylthio)-, tert-butyl ester is 202.10 g/mol.
Where can I buy Propionic acid, 3-(allylthio)-, tert-butyl ester?
You can request a quote for Propionic acid, 3-(allylthio)-, tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-(allylthio)-, tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-(allylthio)-, tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.