![1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene structure](/static/products/3290/329079-55-2.webp)
1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene
TL;DR: 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene (CAS 329079-55-2) 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] 3-nitrobenzoate
Also Known As: (4-tert-butylcyclohexylidene)amino 3-nitrobenzoate, [(4-tert-butylcyclohexylidene)amino] 3-nitrobenzoate, 1-[({[4-(tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene, (4-tert-butylcyclohexylidene)amino3-nitrobenzoate, 4-tert-butylcyclohexanone O-(3-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 | 466.0 |
Chemical Identifiers
| CAS Number | 329079-55-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC1 |
| InChIKey | XXVIMRQTPCMYIX-UHFFFAOYSA-N |
Product Overview
1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene (CAS 329079-55-2), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: [(4-tert-butylcyclohexylidene)amino] 3-nitrobenzoate.
Chemical Property Profile of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene
Property Insights of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene
The XLogP value of 4.2 indicates that 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene 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 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene. Following Lipinski's Rule of Five, 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene 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 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene?
The CAS number of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene is 329079-55-2.
What is the molecular formula of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene?
The molecular formula of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene is C17H22N2O4.
What is the molecular weight of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene?
The molecular weight of 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene is 318.16 g/mol.
Where can I buy 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene?
You can request a quote for 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.