2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate
TL;DR: 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate (CAS 669757-63-5) is a chemical compound with molecular formula C14H11NO5S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] thiophene-2-carboxylate
Also Known As: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate, [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] thiophene-2-carboxylate
| Molecular Formula | C14H11NO5S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 3.00442 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0358 |
| Heavy Atoms | 21 |
| Complexity | 693.39484 |
Chemical Identifiers
| CAS Number | 669757-63-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CS2)[N+](=O)[O-] |
Product Overview
2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate (CAS 669757-63-5), with molecular formula C14H11NO5S and molecular weight 305.04 g/mol. IUPAC: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate
Property Insights of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate
The XLogP value of 3.00442 indicates that 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate 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 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate?
The CAS number of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate is 669757-63-5.
What is the molecular formula of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate?
The molecular formula of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate is C14H11NO5S.
What is the molecular weight of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate?
The molecular weight of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate is 305.04 g/mol.
Where can I buy 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate?
You can request a quote for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.