methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate
TL;DR: methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate (CAS 545441-01-8) is a chemical compound with molecular formula C19H12Cl2N2O5S and molecular weight 449.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
Also Known As: methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate, methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate, METHYL 2-(5-CHLORO-2-NITROBENZAMIDO)-4-(4-CHLOROPHENYL)THIOPHENE-3-CARBOXYLATE, methyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4-(4-chlorophenyl)thiophene-3 -carboxylate, methyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4-(4-chlorophenyl)thiophene-3-carboxylate
| Molecular Formula | C19H12Cl2N2O5S |
|---|---|
| Molecular Weight | 449.98 g/mol |
| LogP | 5.669 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.9844 |
| Heavy Atoms | 29 |
| Complexity | 1112.2874 |
Chemical Identifiers
| CAS Number | 545441-01-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate (CAS 545441-01-8), with molecular formula C19H12Cl2N2O5S and molecular weight 449.98 g/mol. IUPAC: methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate
Property Insights of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate
The XLogP value of 5.669 indicates that methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate?
The CAS number of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate is 545441-01-8.
What is the molecular formula of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate?
The molecular formula of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate is C19H12Cl2N2O5S.
What is the molecular weight of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate?
The molecular weight of methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate is 449.98 g/mol.
Where can I buy methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate?
You can request a quote for methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-chlorophenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.