1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose
TL;DR: 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose (CAS 30772-69-1) is a chemical compound with molecular formula C22H22O7S and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-3-benzoyloxy-4-methylsulfanyloxolan-2-yl)methyl benzoate
Also Known As: 1-o-acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose, (5-acetyloxy-3-benzoyloxy-4-methylsulfanyloxolan-2-yl)methyl benzoate
| Molecular Formula | C22H22O7S |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.1086 |
| Heavy Atoms | 30 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 30772-69-1 |
|---|---|
| SMILES | CC(=O)OC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)SC |
| InChIKey | DJCWVTDTABYSRB-UHFFFAOYSA-N |
Product Overview
1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose (CAS 30772-69-1), with molecular formula C22H22O7S and molecular weight 430.11 g/mol. IUPAC: (5-acetyloxy-3-benzoyloxy-4-methylsulfanyloxolan-2-yl)methyl benzoate.
Chemical Property Profile of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose
Property Insights of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose
The XLogP value of 3.9 indicates that 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose. Following Lipinski's Rule of Five, 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose has 0 hydrogen bond donor(s) and 8 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 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose?
The CAS number of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose is 30772-69-1.
What is the molecular formula of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose?
The molecular formula of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose is C22H22O7S.
What is the molecular weight of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose?
The molecular weight of 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose is 430.11 g/mol.
Where can I buy 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose?
You can request a quote for 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose?
Yes, KEHONG BIO provides custom synthesis services for 1-o-Acetyl-3,5-di-o-benzoyl-2-s-methyl-2-thiopentofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.