N-(4-硝基苯基)有效胺
TL;DR: N-(4-硝基苯基)有效胺 (CAS 97380-32-0) is a chemical compound with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-硝基苯基)有效胺
4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol
Also Known As: N-(4-Nitrophenyl)validamine, Validamine Impurity 3, 4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol, D-Chiro-inositol, 1,5,6-trideoxy-5-(hydroxymethyl)-1-((4-nitrophenyl)amino)-, (5alpha)-, RefChem:162198
| Molecular Formula | C13H18N2O6 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1165 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 97380-32-0 |
|---|---|
| SMILES | C1C(C(C(C(C1NC2=CC=C(C=C2)[N+](=O)[O-])O)O)O)CO |
| InChIKey | JXUGHMBEWUEHHW-UHFFFAOYSA-N |
Product Overview
N-(4-硝基苯基)有效胺 (CAS 97380-32-0), with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol. IUPAC: 4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol.
Chemical Property Profile of N-(4-硝基苯基)有效胺
Property Insights of N-(4-硝基苯基)有效胺
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-硝基苯基)有效胺. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-硝基苯基)有效胺. Following Lipinski's Rule of Five, N-(4-硝基苯基)有效胺 has 5 hydrogen bond donor(s) and 7 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 N-(4-硝基苯基)有效胺?
The CAS number of N-(4-硝基苯基)有效胺 is 97380-32-0.
What is the molecular formula of N-(4-硝基苯基)有效胺?
The molecular formula of N-(4-硝基苯基)有效胺 is C13H18N2O6.
What is the molecular weight of N-(4-硝基苯基)有效胺?
The molecular weight of N-(4-硝基苯基)有效胺 is 298.12 g/mol.
Where can I buy N-(4-硝基苯基)有效胺?
You can request a quote for N-(4-硝基苯基)有效胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-硝基苯基)有效胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4-硝基苯基)有效胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.