6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose
TL;DR: 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose (CAS 6000-91-5) is a chemical compound with molecular formula C16H22O5S and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-benzylsulfanyl-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Also Known As: 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose, 5-(2-benzylsulfanyl-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
| Molecular Formula | C16H22O5S |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1188 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6000-91-5 |
|---|---|
| SMILES | CC1(OC2C(C(OC2O1)C(CSCC3=CC=CC=C3)O)O)C |
| InChIKey | PZWFHFBFBRCVOP-UHFFFAOYSA-N |
Product Overview
6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose (CAS 6000-91-5), with molecular formula C16H22O5S and molecular weight 326.12 g/mol. IUPAC: 5-(2-benzylsulfanyl-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
Chemical Property Profile of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose
Property Insights of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose. Following Lipinski's Rule of Five, 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose 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 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose?
The CAS number of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose is 6000-91-5.
What is the molecular formula of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose?
The molecular formula of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose is C16H22O5S.
What is the molecular weight of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose?
The molecular weight of 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose is 326.12 g/mol.
Where can I buy 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose?
You can request a quote for 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose?
Yes, KEHONG BIO provides custom synthesis services for 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.