4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate
TL;DR: 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate (CAS 284665-12-9) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-nitrophenyl) 3-thiophen-2-ylprop-2-enoate
Also Known As: Maybridge1_005929, 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate, 4-methyl-2-nitrophenyl 3-(thiophen-2-yl)prop-2-enoate, (4-methyl-2-nitrophenyl) 3-thiophen-2-ylprop-2-enoate, RefChem:294217
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 284665-12-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C=CC2=CC=CS2)[N+](=O)[O-] |
| InChIKey | LBLKEBAOEMOTHS-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate (CAS 284665-12-9), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: (4-methyl-2-nitrophenyl) 3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate
Property Insights of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate
The XLogP value of 3.7 indicates that 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate. Following Lipinski's Rule of Five, 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate has 0 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-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate?
The CAS number of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate is 284665-12-9.
What is the molecular formula of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate?
The molecular formula of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate is C14H11NO4S.
What is the molecular weight of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate?
The molecular weight of 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate is 289.04 g/mol.
Where can I buy 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate?
You can request a quote for 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitrophenyl 3-(2-thienyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.