![4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime structure](/static/products/4778/477852-22-5.webp)
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime
TL;DR: 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime (CAS 477852-22-5) is a chemical compound with molecular formula C21H16Cl2N2O3S and molecular weight 446.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine
Also Known As: 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime, N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methanimine, N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine
| Molecular Formula | C21H16Cl2N2O3S |
|---|---|
| Molecular Weight | 446.03 g/mol |
| LogP | 6.91192 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.02588 |
| Heavy Atoms | 29 |
| Complexity | 1056.2919 |
Chemical Identifiers
| CAS Number | 477852-22-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NOCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime (CAS 477852-22-5), with molecular formula C21H16Cl2N2O3S and molecular weight 446.03 g/mol. IUPAC: N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine.
Chemical Property Profile of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime
Property Insights of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime
The XLogP value of 6.91192 indicates that 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime. Following Lipinski's Rule of Five, 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime?
The CAS number of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime is 477852-22-5.
What is the molecular formula of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime?
The molecular formula of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime is C21H16Cl2N2O3S.
What is the molecular weight of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime?
The molecular weight of 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime is 446.03 g/mol.
Where can I buy 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime?
You can request a quote for 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.