4-NO2Ph-ooah-4'-Me
TL;DR: 4-NO2Ph-ooah-4'-Me (CAS 18002-30-7) is a chemical compound with molecular formula C28H42N2O18 and molecular weight 694.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-4-hydroxy-5-methoxy-6-(methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 4-NO2Ph-ooah-4'-Me, N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-4-hydroxy-5-methoxy-6-(methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide, 4-nitrophenyl 2-(acetylamino)-2-deoxy-d-glucopyranosyl-(1-, 4-nitrophenyl O- (2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4,6-di-O-methylmannopyranosyl)-(1-6)-g, 4-nitrophenyl 2-(acetylamino)-2-deoxy-d-glucopyranosyl-(1->2)-4,6-di-o-methyl-
| Molecular Formula | C28H42N2O18 |
|---|---|
| Molecular Weight | 694.24 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 694.2433 |
| Heavy Atoms | 48 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 18002-30-7 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC4=CC=C(C=C4)[N+](=O)[O-])O)O)O)COC)OC)O)CO)O)O |
| InChIKey | UAKBGVDLDOMENG-DXERZMJBSA-N |
Product Overview
4-NO2Ph-ooah-4'-Me (CAS 18002-30-7), with molecular formula C28H42N2O18 and molecular weight 694.24 g/mol. IUPAC: N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-4-hydroxy-5-methoxy-6-(methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of 4-NO2Ph-ooah-4'-Me
Property Insights of 4-NO2Ph-ooah-4'-Me
The XLogP value of -3.6 indicates that 4-NO2Ph-ooah-4'-Me is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting 4-NO2Ph-ooah-4'-Me may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-NO2Ph-ooah-4'-Me has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-NO2Ph-ooah-4'-Me?
The CAS number of 4-NO2Ph-ooah-4'-Me is 18002-30-7.
What is the molecular formula of 4-NO2Ph-ooah-4'-Me?
The molecular formula of 4-NO2Ph-ooah-4'-Me is C28H42N2O18.
What is the molecular weight of 4-NO2Ph-ooah-4'-Me?
The molecular weight of 4-NO2Ph-ooah-4'-Me is 694.24 g/mol.
Where can I buy 4-NO2Ph-ooah-4'-Me?
You can request a quote for 4-NO2Ph-ooah-4'-Me directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-NO2Ph-ooah-4'-Me?
Yes, KEHONG BIO provides custom synthesis services for 4-NO2Ph-ooah-4'-Me and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.