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Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate
TL;DR: Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate (CAS 424812-72-6) is a chemical compound with molecular formula C13H9Cl2NO3S and molecular weight 328.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate
Also Known As: BIM-0046192.P001, methyl 3-(2,4-dichlorobenzamido)thiophene-2-carboxylate, methyl 3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate, methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate, methyl 3-[(2,4-dichlorophenyl)carbonylamino]thiophene-2-carboxylate
| Molecular Formula | C13H9Cl2NO3S |
|---|---|
| Molecular Weight | 328.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.96802 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 424812-72-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | TZTNJHQHNQQEPB-UHFFFAOYSA-N |
Product Overview
Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate (CAS 424812-72-6), with molecular formula C13H9Cl2NO3S and molecular weight 328.97 g/mol. IUPAC: methyl 3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate
Property Insights of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate
The XLogP value of 4.4 indicates that Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The CAS number of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate is 424812-72-6.
What is the molecular formula of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The molecular formula of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate is C13H9Cl2NO3S.
What is the molecular weight of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The molecular weight of Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate is 328.97 g/mol.
Where can I buy Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate?
You can request a quote for Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl3-[(2,4-dichlorobenzoyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.