Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate
TL;DR: Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate (CAS 495395-35-2) is a chemical compound with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate, ethyl 5-benzyl-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate, ethyl 2-[(4-methoxy-3-nitrophenyl)carbonylamino]-5-benzylthiophene-3-carboxyla te, ETHYL 5-BENZYL-2-(4-METHOXY-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-benzyl-2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H20N2O6S |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.6847 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.10422 |
| Heavy Atoms | 31 |
| Complexity | 1110.4438 |
Chemical Identifiers
| CAS Number | 495395-35-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate (CAS 495395-35-2), with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol. IUPAC: ethyl 5-benzyl-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate
Property Insights of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate
The XLogP value of 4.6847 indicates that Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 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 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate?
The CAS number of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate is 495395-35-2.
What is the molecular formula of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate?
The molecular formula of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate is C22H20N2O6S.
What is the molecular weight of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate?
The molecular weight of Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate is 440.10 g/mol.
Where can I buy Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate?
You can request a quote for Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-benzyl-2-({3-nitro-4-methoxybenzoyl}amino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.