![1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide structure](/static/products/4381/438194-55-9.webp)
1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
TL;DR: 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide (CAS 438194-55-9) is a chemical compound with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
Also Known As: 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide, 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide, N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-{4-ethoxy-2-nitrophenyl}thiourea, N-[(1-BENZYL-2,3-DIMETHYL-1H-INDOL-5-YL)CARBONYL]-N'-(4-ETHOXY-2-NITROPHENYL)THIOUREA
| Molecular Formula | C27H26N4O4S |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 5.74014 |
| Topological Polar Surface Area | 98.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.16748 |
| Heavy Atoms | 36 |
| Complexity | 1463.9127 |
Chemical Identifiers
| CAS Number | 438194-55-9 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide (CAS 438194-55-9), with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol. IUPAC: 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide.
Chemical Property Profile of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
Property Insights of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
The XLogP value of 5.74014 indicates that 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide. Following Lipinski's Rule of Five, 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The CAS number of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is 438194-55-9.
What is the molecular formula of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The molecular formula of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is C27H26N4O4S.
What is the molecular weight of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The molecular weight of 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is 502.17 g/mol.
Where can I buy 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
You can request a quote for 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.