Methyl 4-S-benzoyl-4-thiopentopyranoside
TL;DR: Methyl 4-S-benzoyl-4-thiopentopyranoside (CAS 2510-32-9) is a chemical compound with molecular formula C13H16O5S and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate
Also Known As: Methyl 4-S-benzoyl-4-thiopentopyranoside, NCIOpen2_004174, S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate, S-(4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl) benzenecarbothioate
| Molecular Formula | C13H16O5S |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07184 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 2510-32-9 |
|---|---|
| SMILES | COC1C(C(C(CO1)SC(=O)C2=CC=CC=C2)O)O |
| InChIKey | LGNQBGABKCQOCL-UHFFFAOYSA-N |
Product Overview
Methyl 4-S-benzoyl-4-thiopentopyranoside (CAS 2510-32-9), with molecular formula C13H16O5S and molecular weight 284.07 g/mol. IUPAC: S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate.
Chemical Property Profile of Methyl 4-S-benzoyl-4-thiopentopyranoside
Property Insights of Methyl 4-S-benzoyl-4-thiopentopyranoside
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-S-benzoyl-4-thiopentopyranoside. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-S-benzoyl-4-thiopentopyranoside. Following Lipinski's Rule of Five, Methyl 4-S-benzoyl-4-thiopentopyranoside has 2 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 Methyl 4-S-benzoyl-4-thiopentopyranoside?
The CAS number of Methyl 4-S-benzoyl-4-thiopentopyranoside is 2510-32-9.
What is the molecular formula of Methyl 4-S-benzoyl-4-thiopentopyranoside?
The molecular formula of Methyl 4-S-benzoyl-4-thiopentopyranoside is C13H16O5S.
What is the molecular weight of Methyl 4-S-benzoyl-4-thiopentopyranoside?
The molecular weight of Methyl 4-S-benzoyl-4-thiopentopyranoside is 284.07 g/mol.
Where can I buy Methyl 4-S-benzoyl-4-thiopentopyranoside?
You can request a quote for Methyl 4-S-benzoyl-4-thiopentopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-S-benzoyl-4-thiopentopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-S-benzoyl-4-thiopentopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.