![isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate structure](/static/products/4450/445007-16-9.webp)
isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
TL;DR: isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 445007-16-9) is a chemical compound with molecular formula C19H20N4O8S and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(dimethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate, propan-2-yl 5-(dimethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate, ISOPROPYL 5-(DIMETHYLCARBAMOYL)-2-(3,5-DINITROBENZAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE, methylethyl 5-(N,N-dimethylcarbamoyl)-2-[(3,5-dinitrophenyl)carbonylamino]-4-m ethylthiophene-3-carboxylate, propan-2-yl 5-(dimethylcarbamoyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C19H20N4O8S |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 3.39222 |
| Topological Polar Surface Area | 161.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.1002 |
| Heavy Atoms | 32 |
| Complexity | 1090.5212 |
Chemical Identifiers
| CAS Number | 445007-16-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C |
Product Overview
isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 445007-16-9), with molecular formula C19H20N4O8S and molecular weight 464.10 g/mol. IUPAC: propan-2-yl 5-(dimethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
Property Insights of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
The XLogP value of 3.39222 indicates that isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.99 Ų indicates high polarity, suggesting isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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 isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The CAS number of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 445007-16-9.
What is the molecular formula of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular formula of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is C19H20N4O8S.
What is the molecular weight of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular weight of isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 464.10 g/mol.
Where can I buy isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
You can request a quote for isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-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 isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.