Para-nitrophenyl 1-thio-beta-D-glucopyranoside
TL;DR: Para-nitrophenyl 1-thio-beta-D-glucopyranoside (CAS 2788-56-9) is a chemical compound with molecular formula C12H15NO7S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyloxane-3,4,5-triol
Also Known As: 4-Nitrophenyl b-D-thioglucopyranoside, Cid 3037658, para-nitrophenyl 1-thio-beta-d-glucopyranoside, 4-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE, p-nitrothiophenyl-beta-D-glucopyranoside
| Molecular Formula | C12H15NO7S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.05692 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2788-56-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | IXFOBQXJWRLXMD-ZIQFBCGOSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Para-nitrophenyl 1-thio-beta-D-glucopyranoside (CAS 2788-56-9), with molecular formula C12H15NO7S and molecular weight 317.06 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyloxane-3,4,5-triol.
Chemical Property Profile of Para-nitrophenyl 1-thio-beta-D-glucopyranoside
Property Insights of Para-nitrophenyl 1-thio-beta-D-glucopyranoside
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Para-nitrophenyl 1-thio-beta-D-glucopyranoside. The TPSA of 161.0 Ų indicates high polarity, suggesting Para-nitrophenyl 1-thio-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Para-nitrophenyl 1-thio-beta-D-glucopyranoside has 4 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 Para-nitrophenyl 1-thio-beta-D-glucopyranoside?
The CAS number of Para-nitrophenyl 1-thio-beta-D-glucopyranoside is 2788-56-9.
What is the molecular formula of Para-nitrophenyl 1-thio-beta-D-glucopyranoside?
The molecular formula of Para-nitrophenyl 1-thio-beta-D-glucopyranoside is C12H15NO7S.
What is the molecular weight of Para-nitrophenyl 1-thio-beta-D-glucopyranoside?
The molecular weight of Para-nitrophenyl 1-thio-beta-D-glucopyranoside is 317.06 g/mol.
Where can I buy Para-nitrophenyl 1-thio-beta-D-glucopyranoside?
You can request a quote for Para-nitrophenyl 1-thio-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Para-nitrophenyl 1-thio-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Para-nitrophenyl 1-thio-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.