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Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate
TL;DR: Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 544670-49-7) is a chemical compound with molecular formula C16H13Cl2NO5S and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate, dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-(3,4-dichlorobenzamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[(3,4-dichlorophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 5-[(3,4-dichlorophenyl)carbonylamino]-4-(methoxycarbonyl)-3-methylthiop hene-2-carboxylate
| Molecular Formula | C16H13Cl2NO5S |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 4.18882 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.98914 |
| Heavy Atoms | 25 |
| Complexity | 862.45026 |
Chemical Identifiers
| CAS Number | 544670-49-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC |
Product Overview
Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 544670-49-7), with molecular formula C16H13Cl2NO5S and molecular weight 400.99 g/mol. IUPAC: dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Property Insights of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.18882 indicates that Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 6 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-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 544670-49-7.
What is the molecular formula of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate is C16H13Cl2NO5S.
What is the molecular weight of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 400.99 g/mol.
Where can I buy Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for Dimethyl 5-[(3,4-dichlorobenzoyl)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-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.