![N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide structure](/static/products/4763/476309-61-2.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide (CAS 476309-61-2) is a chemical compound with molecular formula C16H8ClF3N2O3S and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide, F0447-0052, N-(2-chloro-5-(trifluoromethyl)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C16H8ClF3N2O3S |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 5.734 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.98962 |
| Heavy Atoms | 26 |
| Complexity | 1033.2422 |
Chemical Identifiers
| CAS Number | 476309-61-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide (CAS 476309-61-2), with molecular formula C16H8ClF3N2O3S and molecular weight 399.99 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 5.734 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-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-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide is 476309-61-2.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide is C16H8ClF3N2O3S.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide is 399.99 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-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-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.