对硝基苯甲酸环己胺盐
TL;DR: 对硝基苯甲酸环己胺盐 (CAS 34067-50-0) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基苯甲酸环己胺盐
cyclohexylazanium;4-nitrobenzoate
Also Known As: Cyclohexylamine p-nitrobenzoate, Cyclohexylamine N-nitrobenzoate, 4-Nitrobenzoic acid cyclohexylamine salt, Cyclohexylamine 4-nitrobenzoate, Cyclohexylamine-4-nitrobenzoate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 34067-50-0 |
|---|---|
| SMILES | C1CCC(CC1)[NH3+].C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] |
| InChIKey | MQDHSYCWPUCSOQ-UHFFFAOYSA-N |
Product Overview
对硝基苯甲酸环己胺盐 (CAS 34067-50-0), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: cyclohexylazanium;4-nitrobenzoate.
Chemical Property Profile of 对硝基苯甲酸环己胺盐
Property Insights of 对硝基苯甲酸环己胺盐
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基苯甲酸环己胺盐. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基苯甲酸环己胺盐. Following Lipinski's Rule of Five, 对硝基苯甲酸环己胺盐 has 1 hydrogen bond donor(s) and 4 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 对硝基苯甲酸环己胺盐?
The CAS number of 对硝基苯甲酸环己胺盐 is 34067-50-0.
What is the molecular formula of 对硝基苯甲酸环己胺盐?
The molecular formula of 对硝基苯甲酸环己胺盐 is C13H18N2O4.
What is the molecular weight of 对硝基苯甲酸环己胺盐?
The molecular weight of 对硝基苯甲酸环己胺盐 is 266.13 g/mol.
Where can I buy 对硝基苯甲酸环己胺盐?
You can request a quote for 对硝基苯甲酸环己胺盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯甲酸环己胺盐?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯甲酸环己胺盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.