diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 550353-65-6) is a chemical compound with molecular formula C20H21ClN2O7S and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, dipropan-2-yl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, diisopropyl 5-(2-chloro-5-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate, dipropan-2-yl 5-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, methylethyl 5-[(2-chloro-5-nitrophenyl)carbonylamino]-3-methyl-4-[(methylethyl )oxycarbonyl]thiophene-2-carboxylate
| Molecular Formula | C20H21ClN2O7S |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | 5.00082 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.0758 |
| Heavy Atoms | 31 |
| Complexity | 1046.3896 |
Chemical Identifiers
| CAS Number | 550353-65-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OC(C)C |
Product Overview
diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 550353-65-6), with molecular formula C20H21ClN2O7S and molecular weight 468.08 g/mol. IUPAC: dipropan-2-yl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 5.00082 indicates that diisopropyl 5-({2-chloro-5-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 diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 550353-65-6.
What is the molecular formula of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C20H21ClN2O7S.
What is the molecular weight of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 468.08 g/mol.
Where can I buy diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for diisopropyl 5-({2-chloro-5-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 diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 5-({2-chloro-5-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.