Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 544422-75-5) is a chemical compound with molecular formula C16H13ClN2O7S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-5-(methoxycarbonyl)-4-methylt hiophene-3-carboxylate
| Molecular Formula | C16H13ClN2O7S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 3.44362 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0132 |
| Heavy Atoms | 27 |
| Complexity | 954.4857 |
Chemical Identifiers
| CAS Number | 544422-75-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 544422-75-5), with molecular formula C16H13ClN2O7S and molecular weight 412.01 g/mol. IUPAC: dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 3.44362 indicates that Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate has 1 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 Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 544422-75-5.
What is the molecular formula of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C16H13ClN2O7S.
What is the molecular weight of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 412.01 g/mol.
Where can I buy Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({5-chloro-2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.