N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 477548-44-0) is a chemical compound with molecular formula C20H13N3O4S2 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide, F0866-0457, N-(5-acetyl-4-phenylthiazol-2-yl)-5-nitrobenzo[b]thiophene-2-carboxamide, N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide
| Molecular Formula | C20H13N3O4S2 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 5.3879 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.03476 |
| Heavy Atoms | 29 |
| Complexity | 1261.471 |
Chemical Identifiers
| CAS Number | 477548-44-0 |
|---|---|
| SMILES | CC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 477548-44-0), with molecular formula C20H13N3O4S2 and molecular weight 423.03 g/mol. IUPAC: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 5.3879 indicates that N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is 477548-44-0.
What is the molecular formula of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is C20H13N3O4S2.
What is the molecular weight of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is 423.03 g/mol.
Where can I buy N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.