Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate
TL;DR: Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate (CAS 87206-45-9) is a chemical compound with molecular formula C7H12O3S and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxythiane-3-carboxylate
Also Known As: Methyl 4-hydroxythiane-3-carboxylate, Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate, methyl 4-hydroxy-tetrahydro-2H-thiopyran-3-carboxylate, 1,2,4,5-Tetradeoxy-1,5-epithio-2-(methoxycarbonyl)pentitol, 1,5-Anhydro-2,4-dideoxy-2-(methoxycarbonyl)-1-thiopentitol
| Molecular Formula | C7H12O3S |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 0.2734 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05072 |
| Heavy Atoms | 11 |
| Complexity | 148.62111 |
Chemical Identifiers
| CAS Number | 87206-45-9 |
|---|---|
| SMILES | COC(=O)C1CSCCC1O |
Product Overview
Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate (CAS 87206-45-9), with molecular formula C7H12O3S and molecular weight 176.05 g/mol. IUPAC: methyl 4-hydroxythiane-3-carboxylate.
Chemical Property Profile of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate
Property Insights of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate
The XLogP value of 0.2734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate has 1 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 Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate?
The CAS number of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate is 87206-45-9.
What is the molecular formula of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate?
The molecular formula of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate is C7H12O3S.
What is the molecular weight of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate?
The molecular weight of Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate is 176.05 g/mol.
Where can I buy Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate?
You can request a quote for Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.