![[(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate structure](/static/products/3290/329079-18-7.webp)
[(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate
TL;DR: [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate (CAS 329079-18-7) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-tert-butylcyclohexylidene)amino] 4-nitrobenzoate
Also Known As: (4-tert-butylcyclohexylidene)amino 4-nitrobenzoate, [(4-tert-butylcyclohexylidene)amino] 4-nitrobenzoate, (4-tert-butylcyclohexylidene)amino4-nitrobenzoate, [4-(tert-butyl)cyclohexylidene]azamethyl 4-nitrobenzoate, 4-TERT-BUTYLCYCLOHEXANONE O-(4-NITROBENZOYL)OXIME
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 329079-18-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC1 |
| InChIKey | VVVGERSSWFGOBG-UHFFFAOYSA-N |
Product Overview
[(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate (CAS 329079-18-7), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: [(4-tert-butylcyclohexylidene)amino] 4-nitrobenzoate.
Chemical Property Profile of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate
Property Insights of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate
The XLogP value of 4.2 indicates that [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate. Following Lipinski's Rule of Five, [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate has 0 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 [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate?
The CAS number of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate is 329079-18-7.
What is the molecular formula of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate?
The molecular formula of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate is C17H22N2O4.
What is the molecular weight of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate?
The molecular weight of [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate is 318.16 g/mol.
Where can I buy [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate?
You can request a quote for [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Tert-butylcyclohexylidene)amino] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.