4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate
TL;DR: 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate (CAS 883290-88-8) is a chemical compound with molecular formula C18H15NO5S and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate
Also Known As: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate, 4-((4-nitrophenyl)thio)buta-2,3-dien-1-yl 4-methoxybenzoate, 4-[(4-nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-methoxybenzoate
| Molecular Formula | C18H15NO5S |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 4.2213 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.0671 |
| Heavy Atoms | 25 |
| Complexity | 793.22107 |
Chemical Identifiers
| CAS Number | 883290-88-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC=C=CSC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate (CAS 883290-88-8), with molecular formula C18H15NO5S and molecular weight 357.07 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate.
Chemical Property Profile of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate
Property Insights of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate
The XLogP value of 4.2213 indicates that 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate. Following Lipinski's Rule of Five, 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate?
The CAS number of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate is 883290-88-8.
What is the molecular formula of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate?
The molecular formula of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate is C18H15NO5S.
What is the molecular weight of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate?
The molecular weight of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate is 357.07 g/mol.
Where can I buy 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate?
You can request a quote for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.