thioacetic acid S-(3-oxo-undecyl) ester
TL;DR: thioacetic acid S-(3-oxo-undecyl) ester (CAS 33796-36-0) is a chemical compound with molecular formula C13H24O2S and molecular weight 244.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-oxoundecyl) ethanethioate
Also Known As: 1-acetylsulfanylundecan-3-one, 1-acetylsulfanyl-undecan-3-one, S-(3-oxoundecyl) ethanethioate, thioacetic acid S-(3-oxo-undecyl) ester, S-(3-oxoundecyl) ethanethioate (en)Ethanethioic acid, S-(3-o
| Molecular Formula | C13H24O2S |
|---|---|
| Molecular Weight | 244.15 g/mol |
| LogP | 3.9759 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.1497 |
| Heavy Atoms | 16 |
| Complexity | 202.10927 |
Chemical Identifiers
| CAS Number | 33796-36-0 |
|---|---|
| SMILES | CCCCCCCCC(=O)CCSC(=O)C |
Product Overview
thioacetic acid S-(3-oxo-undecyl) ester (CAS 33796-36-0), with molecular formula C13H24O2S and molecular weight 244.15 g/mol. IUPAC: S-(3-oxoundecyl) ethanethioate.
Chemical Property Profile of thioacetic acid S-(3-oxo-undecyl) ester
Property Insights of thioacetic acid S-(3-oxo-undecyl) ester
The XLogP value of 3.9759 indicates that thioacetic acid S-(3-oxo-undecyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, thioacetic acid S-(3-oxo-undecyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, thioacetic acid S-(3-oxo-undecyl) 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 thioacetic acid S-(3-oxo-undecyl) ester?
The CAS number of thioacetic acid S-(3-oxo-undecyl) ester is 33796-36-0.
What is the molecular formula of thioacetic acid S-(3-oxo-undecyl) ester?
The molecular formula of thioacetic acid S-(3-oxo-undecyl) ester is C13H24O2S.
What is the molecular weight of thioacetic acid S-(3-oxo-undecyl) ester?
The molecular weight of thioacetic acid S-(3-oxo-undecyl) ester is 244.15 g/mol.
Where can I buy thioacetic acid S-(3-oxo-undecyl) ester?
You can request a quote for thioacetic acid S-(3-oxo-undecyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thioacetic acid S-(3-oxo-undecyl) ester?
Yes, KEHONG BIO provides custom synthesis services for thioacetic acid S-(3-oxo-undecyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.