2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate
TL;DR: 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate (CAS 307952-81-4) is a chemical compound with molecular formula C23H19NO4S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate
Also Known As: 5-Nitro-2-(p-tolylthio)benzyl cinnamate, 5-Nitro-2-(p-tolylthio)benzylcinnamate, 5-nitro-2-[(4-methylphenyl)sulfanyl]benzyl 3-phenylacrylate, AA-768/32245009, [2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate
| Molecular Formula | C23H19NO4S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 5.81102 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1035 |
| Heavy Atoms | 29 |
| Complexity | 1030.5033 |
Chemical Identifiers
| CAS Number | 307952-81-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate (CAS 307952-81-4), with molecular formula C23H19NO4S and molecular weight 405.10 g/mol. IUPAC: [2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate
Property Insights of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate
The XLogP value of 5.81102 indicates that 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate 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 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate?
The CAS number of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate is 307952-81-4.
What is the molecular formula of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate?
The molecular formula of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate is C23H19NO4S.
What is the molecular weight of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate?
The molecular weight of 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate is 405.10 g/mol.
Where can I buy 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate?
You can request a quote for 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)thio)-5-nitrobenzyl 3-phenylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.