2,5-Dichlorophenyl 1-thiohexopyranoside
TL;DR: 2,5-Dichlorophenyl 1-thiohexopyranoside (CAS 58557-39-4) is a chemical compound with molecular formula C12H14Cl2O5S and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dichlorophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 2,5-dichlorophenyl 1-thiohexopyranoside, 2,5-DICHLOROPHENYL 1-THIO-.BETA.-D-GLUCOPYRANOSIDE, 2-(2,5-dichlorophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C12H14Cl2O5S |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.9939 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 58557-39-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)SC2C(C(C(C(O2)CO)O)O)O)Cl |
| InChIKey | KWZTZVROMUGRAB-UHFFFAOYSA-N |
Product Overview
2,5-Dichlorophenyl 1-thiohexopyranoside (CAS 58557-39-4), with molecular formula C12H14Cl2O5S and molecular weight 339.99 g/mol. IUPAC: 2-(2,5-dichlorophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 2,5-Dichlorophenyl 1-thiohexopyranoside
Property Insights of 2,5-Dichlorophenyl 1-thiohexopyranoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichlorophenyl 1-thiohexopyranoside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichlorophenyl 1-thiohexopyranoside. Following Lipinski's Rule of Five, 2,5-Dichlorophenyl 1-thiohexopyranoside has 4 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 2,5-Dichlorophenyl 1-thiohexopyranoside?
The CAS number of 2,5-Dichlorophenyl 1-thiohexopyranoside is 58557-39-4.
What is the molecular formula of 2,5-Dichlorophenyl 1-thiohexopyranoside?
The molecular formula of 2,5-Dichlorophenyl 1-thiohexopyranoside is C12H14Cl2O5S.
What is the molecular weight of 2,5-Dichlorophenyl 1-thiohexopyranoside?
The molecular weight of 2,5-Dichlorophenyl 1-thiohexopyranoside is 339.99 g/mol.
Where can I buy 2,5-Dichlorophenyl 1-thiohexopyranoside?
You can request a quote for 2,5-Dichlorophenyl 1-thiohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichlorophenyl 1-thiohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichlorophenyl 1-thiohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.