4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster
TL;DR: 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster (CAS 99328-39-9) is a chemical compound with molecular formula C6H8O3S and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-4-oxothiolane-3-carboxylate
Also Known As: methyl (3S)-4-oxothiolane-3-carboxylate, Methyl 3-oxotetrahydrothiophene-4-carboxylate, 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster
| Molecular Formula | C6H8O3S |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | 0.0915 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.01941 |
| Heavy Atoms | 10 |
| Complexity | 166.37587 |
Chemical Identifiers
| CAS Number | 99328-39-9 |
|---|---|
| SMILES | COC(=O)[C@H]1CSCC1=O |
Product Overview
4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster (CAS 99328-39-9), with molecular formula C6H8O3S and molecular weight 160.02 g/mol. IUPAC: methyl (3S)-4-oxothiolane-3-carboxylate.
Chemical Property Profile of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster
Property Insights of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster
The XLogP value of 0.0915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster has 0 hydrogen bond donor(s) and 4 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 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster?
The CAS number of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster is 99328-39-9.
What is the molecular formula of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster?
The molecular formula of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster is C6H8O3S.
What is the molecular weight of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster?
The molecular weight of 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster is 160.02 g/mol.
Where can I buy 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster?
You can request a quote for 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.