methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
TL;DR: methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 445005-37-8) is a chemical compound with molecular formula C21H17ClN2O7S and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Also Known As: methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, METHYL 2-(4-CHLORO-2-NITROBENZAMIDO)-4-(3,4-DIMETHOXYPHENYL)THIOPHENE-3-CARBOXYLATE, methyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, methyl 4-(3,4-dimethoxyphenyl)-2-[(4-chloro-2-nitrophenyl)carbonylamino]thioph ene-3-carboxylate
| Molecular Formula | C21H17ClN2O7S |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | 5.0328 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.0445 |
| Heavy Atoms | 32 |
| Complexity | 1208.854 |
Chemical Identifiers
| CAS Number | 445005-37-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC |
Product Overview
methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 445005-37-8), with molecular formula C21H17ClN2O7S and molecular weight 476.04 g/mol. IUPAC: methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Property Insights of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
The XLogP value of 5.0328 indicates that methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate 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 methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The CAS number of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 445005-37-8.
What is the molecular formula of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular formula of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is C21H17ClN2O7S.
What is the molecular weight of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular weight of methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 476.04 g/mol.
Where can I buy methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
You can request a quote for methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.