N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 895823-59-3) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 4.09582 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 751.84436 |
Chemical Identifiers
| CAS Number | 895823-59-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CSC3=C2CCCC3 |
Product Overview
N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 895823-59-3), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.09582 indicates that N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 895823-59-3.
What is the molecular formula of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C16H16N2O3S.
What is the molecular weight of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 316.09 g/mol.
Where can I buy N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.