N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-benzyl-5-nitro-1-benzothiophene-2-carboxamide (CAS 476309-42-9) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-benzyl-5-nitro-1-benzothiophene-2-carboxamide, N-benzyl-5-nitrobenzo[b]thiophene-2-carboxamide, 10P-502S, N-benzyl-5-nitro-benzothiophene-2-carboxamide, AB00684317-01
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.7395 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 842.978 |
Chemical Identifiers
| CAS Number | 476309-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
N-benzyl-5-nitro-1-benzothiophene-2-carboxamide (CAS 476309-42-9), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: N-benzyl-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 3.7395 indicates that N-benzyl-5-nitro-1-benzothiophene-2-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-benzyl-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-benzyl-5-nitro-1-benzothiophene-2-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-benzyl-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide is 476309-42-9.
What is the molecular formula of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide is C16H12N2O3S.
What is the molecular weight of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-benzyl-5-nitro-1-benzothiophene-2-carboxamide is 312.06 g/mol.
Where can I buy N-benzyl-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-benzyl-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-benzyl-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.