![Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate structure](/static/products/4450/445005-77-6.webp)
Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
TL;DR: Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate (CAS 445005-77-6) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate, methylethyl 5-methyl-2-[(2-nitrophenyl)carbonylamino]-4-phenylthiophene-3-carb oxylate, Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenyl-thiophene-3-carboxylate, propan-2-yl 5-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 5.44922 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1105.9706 |
Chemical Identifiers
| CAS Number | 445005-77-6 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C)C3=CC=CC=C3 |
Product Overview
Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate (CAS 445005-77-6), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Property Insights of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
The XLogP value of 5.44922 indicates that Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The CAS number of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate is 445005-77-6.
What is the molecular formula of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The molecular formula of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate is C22H20N2O5S.
What is the molecular weight of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate?
The molecular weight of Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate is 424.11 g/mol.
Where can I buy Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate?
You can request a quote for Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 5-methyl-2-[(2-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.