Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate
TL;DR: Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate (CAS 49568-29-8) is a chemical compound with molecular formula C16H15NO6S2 and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate
Also Known As: BIM-0042322.P001, AH-262/10236009, ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate, ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate, ethyl 4-acetoxy-2-methyl-5-((2-nitrophenyl)thio)thiophene-3-carboxylate
| Molecular Formula | C16H15NO6S2 |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 4.21792 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.0341 |
| Heavy Atoms | 25 |
| Complexity | 830.0276 |
Chemical Identifiers
| CAS Number | 49568-29-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1OC(=O)C)SC2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate (CAS 49568-29-8), with molecular formula C16H15NO6S2 and molecular weight 381.03 g/mol. IUPAC: ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate
Property Insights of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate
The XLogP value of 4.21792 indicates that Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate has 0 hydrogen bond donor(s) and 8 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 Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate?
The CAS number of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate is 49568-29-8.
What is the molecular formula of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate?
The molecular formula of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate is C16H15NO6S2.
What is the molecular weight of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate?
The molecular weight of Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate is 381.03 g/mol.
Where can I buy Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate?
You can request a quote for Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyloxy-2-methyl-5-(2-nitrophenyl)sulfanylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.