3-硝基苯甲酸环己胺盐
TL;DR: 3-硝基苯甲酸环己胺盐 (CAS 34139-62-3) 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.
3-硝基苯甲酸环己胺盐
cyclohexanamine;3-nitrobenzoic acid
Also Known As: Cyclohexylamine m-nitrobenzoate, 3-Nitrobenzoic acid cyclohexylamine salt, cyclohexylamine m-mononitro benzoate, cyclohexanamine; 3-nitrobenzoic acid, 3-Nitrobenzoic acid compd. with cyclohexanamine (1:1)
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.5708 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 34139-62-3 |
|---|---|
| SMILES | C1CCC(CC1)N.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | QMIMSBLFGDSHCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲酸环己胺盐 (CAS 34139-62-3), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: cyclohexanamine;3-nitrobenzoic acid.
Chemical Property Profile of 3-硝基苯甲酸环己胺盐
Property Insights of 3-硝基苯甲酸环己胺盐
The XLogP value of 2.5708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲酸环己胺盐. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲酸环己胺盐. Following Lipinski's Rule of Five, 3-硝基苯甲酸环己胺盐 has 2 hydrogen bond donor(s) and 5 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 3-硝基苯甲酸环己胺盐?
The CAS number of 3-硝基苯甲酸环己胺盐 is 34139-62-3.
What is the molecular formula of 3-硝基苯甲酸环己胺盐?
The molecular formula of 3-硝基苯甲酸环己胺盐 is C13H18N2O4.
What is the molecular weight of 3-硝基苯甲酸环己胺盐?
The molecular weight of 3-硝基苯甲酸环己胺盐 is 266.13 g/mol.
Where can I buy 3-硝基苯甲酸环己胺盐?
You can request a quote for 3-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 3-硝基苯甲酸环己胺盐?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲酸环己胺盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.