3-nitrobenzoic acid dicyclohexylamine salt
TL;DR: 3-nitrobenzoic acid dicyclohexylamine salt (CAS 32895-56-0) is a chemical compound with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;3-nitrobenzoic acid
Also Known As: 3-Nitrobenzoic acid dicyclohexylamine salt, Dicyclohexylamine-3-nitrobenzoate, 3-Nitrobenzoic acid compd. with N-cyclohexylcyclohexanamine (1:1), Benzoic acid, 3-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1), N-cyclohexylcyclohexanamine,3-nitrobenzoic acid
| Molecular Formula | C19H28N2O4 |
|---|---|
| Molecular Weight | 348.20 g/mol |
| LogP | 4.5344 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.2049 |
| Heavy Atoms | 25 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 32895-56-0 |
|---|---|
| SMILES | C1CCC(CC1)NC2CCCCC2.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | QCYVTEVPCTZMMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-nitrobenzoic acid dicyclohexylamine salt (CAS 32895-56-0), with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol. IUPAC: N-cyclohexylcyclohexanamine;3-nitrobenzoic acid.
Chemical Property Profile of 3-nitrobenzoic acid dicyclohexylamine salt
Property Insights of 3-nitrobenzoic acid dicyclohexylamine salt
The XLogP value of 4.5344 indicates that 3-nitrobenzoic acid dicyclohexylamine salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitrobenzoic acid dicyclohexylamine salt. Following Lipinski's Rule of Five, 3-nitrobenzoic acid dicyclohexylamine salt 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-nitrobenzoic acid dicyclohexylamine salt?
The CAS number of 3-nitrobenzoic acid dicyclohexylamine salt is 32895-56-0.
What is the molecular formula of 3-nitrobenzoic acid dicyclohexylamine salt?
The molecular formula of 3-nitrobenzoic acid dicyclohexylamine salt is C19H28N2O4.
What is the molecular weight of 3-nitrobenzoic acid dicyclohexylamine salt?
The molecular weight of 3-nitrobenzoic acid dicyclohexylamine salt is 348.20 g/mol.
Where can I buy 3-nitrobenzoic acid dicyclohexylamine salt?
You can request a quote for 3-nitrobenzoic acid dicyclohexylamine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitrobenzoic acid dicyclohexylamine salt?
Yes, KEHONG BIO provides custom synthesis services for 3-nitrobenzoic acid dicyclohexylamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.