(1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol
TL;DR: (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol (CAS 136232-17-2) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol
Also Known As: (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol, (1S,2S)-2-{[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-amino}-1-(4-nitro-phenyl)-propane-1,3-diol, (6E)-6-[[[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one, (6Z)-6-[[[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.8138 |
| Topological Polar Surface Area | 116.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 699.8717 |
Chemical Identifiers
| CAS Number | 136232-17-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)O |
Product Overview
(1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol (CAS 136232-17-2), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: (1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol.
Chemical Property Profile of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol
Property Insights of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol
The XLogP value of 1.8138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol. The TPSA of 116.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol. Following Lipinski's Rule of Five, (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol has 3 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 (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol?
The CAS number of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol is 136232-17-2.
What is the molecular formula of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol?
The molecular formula of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol is C16H16N2O5.
What is the molecular weight of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol?
The molecular weight of (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol is 316.11 g/mol.
Where can I buy (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol?
You can request a quote for (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S)-2-((E)-(2-hydroxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.