4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime
TL;DR: 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime (CAS 477858-98-3) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-tert-butylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine
Also Known As: 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime, N-[(4-tert-butylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.2935 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 452.52002 |
Chemical Identifiers
| CAS Number | 477858-98-3 |
|---|---|
| SMILES | CC(C)(C)SC1=C(C=C(C=C1)C=NO)[N+](=O)[O-] |
Product Overview
4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime (CAS 477858-98-3), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: N-[(4-tert-butylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime
Property Insights of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime
The XLogP value of 3.2935 indicates that 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime. Following Lipinski's Rule of Five, 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime has 1 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-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime?
The CAS number of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime is 477858-98-3.
What is the molecular formula of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime?
The molecular formula of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime is C11H14N2O3S.
What is the molecular weight of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime?
The molecular weight of 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime is 254.07 g/mol.
Where can I buy 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime?
You can request a quote for 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butylsulfanyl)-3-nitrobenzenecarbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.