4-(4-Bromophenylthio)-3-nitrobenzaldehyde
TL;DR: 4-(4-Bromophenylthio)-3-nitrobenzaldehyde (CAS 175278-49-6) is a chemical compound with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-3-nitrobenzaldehyde
Also Known As: 4-(4-Bromophenylthio)-3-nitrobenzaldehyde, 4-((4-Bromophenyl)thio)-3-nitrobenzaldehyde, 4-[(4-Bromophenyl)sulfanyl]-3-nitrobenzenecarbaldehyde, TIMTEC-BB SBB002342, JS-004C
| Molecular Formula | C13H8BrNO3S |
|---|---|
| Molecular Weight | 336.94 g/mol |
| LogP | 4.321 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.94083 |
| Heavy Atoms | 19 |
| Complexity | 628.2855 |
Chemical Identifiers
| CAS Number | 175278-49-6 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])Br |
Product Overview
4-(4-Bromophenylthio)-3-nitrobenzaldehyde (CAS 175278-49-6), with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-3-nitrobenzaldehyde.
Chemical Property Profile of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde
Property Insights of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde
The XLogP value of 4.321 indicates that 4-(4-Bromophenylthio)-3-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromophenylthio)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-(4-Bromophenylthio)-3-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 4 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-(4-Bromophenylthio)-3-nitrobenzaldehyde?
The CAS number of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde is 175278-49-6.
What is the molecular formula of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde?
The molecular formula of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde is C13H8BrNO3S.
What is the molecular weight of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde?
The molecular weight of 4-(4-Bromophenylthio)-3-nitrobenzaldehyde is 336.94 g/mol.
Where can I buy 4-(4-Bromophenylthio)-3-nitrobenzaldehyde?
You can request a quote for 4-(4-Bromophenylthio)-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenylthio)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenylthio)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.