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Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate (CAS 445000-43-1) is a chemical compound with molecular formula C14H11N3O7S and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-({3,5-bisnitrobenzoyl}amino)-5-methylthiophene-3-carboxylate, methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate, METHYL 2-(3,5-DINITROBENZAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[(3,5-dinitrophenyl)carbonylamino]-5-methylthiophene-3-carboxylate, methyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C14H11N3O7S |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 2.91182 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.03177 |
| Heavy Atoms | 25 |
| Complexity | 858.2957 |
Chemical Identifiers
| CAS Number | 445000-43-1 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate (CAS 445000-43-1), with molecular formula C14H11N3O7S and molecular weight 365.03 g/mol. IUPAC: methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
The XLogP value of 2.91182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate. The TPSA of 141.68 Ų indicates high polarity, suggesting Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate is 445000-43-1.
What is the molecular formula of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate is C14H11N3O7S.
What is the molecular weight of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate is 365.03 g/mol.
Where can I buy Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-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-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.