4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside
TL;DR: 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside (CAS 54850-18-9) is a chemical compound with molecular formula C13H18N2O9S and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]methanesulfonamide
Also Known As: Sid 768731, p-Nitrophenyl N-methanesulfony beta-D-glucosaminide, 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside, beta-D-Glucopyranoside, 4-nitrophenyl 2-deoxy-2-((methylsulfonyl)amino)-, p-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside
| Molecular Formula | C13H18N2O9S |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0733 |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 54850-18-9 |
|---|---|
| SMILES | CS(=O)(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O |
| InChIKey | RZDJXHWEZNGEOW-SYLRKERUSA-N |
Product Overview
4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside (CAS 54850-18-9), with molecular formula C13H18N2O9S and molecular weight 378.07 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]methanesulfonamide.
Chemical Property Profile of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside
Property Insights of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside
The XLogP value of -0.7 indicates that 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside has 4 hydrogen bond donor(s) and 10 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 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside?
The CAS number of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside is 54850-18-9.
What is the molecular formula of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside?
The molecular formula of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside is C13H18N2O9S.
What is the molecular weight of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside?
The molecular weight of 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside is 378.07 g/mol.
Where can I buy 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside?
You can request a quote for 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-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 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl-2-methanesulfonamide 2-deoxy-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.