3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide (CAS 444923-22-2) is a chemical compound with molecular formula C17H12Cl2N2O3S and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-chloro-5-nitrophenyl)-6-ethyl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide, 3-chloro-N-(2-chloro-5-nitrophenyl)-6-ethyl-1-benzothiophene-2-carboxamide, 3-CHLORO-N~2~-(2-CHLORO-5-NITROPHENYL)-6-ETHYL-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C17H12Cl2N2O3S |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 5.931 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.99457 |
| Heavy Atoms | 25 |
| Complexity | 1000.9668 |
Chemical Identifiers
| CAS Number | 444923-22-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide (CAS 444923-22-2), with molecular formula C17H12Cl2N2O3S and molecular weight 393.99 g/mol. IUPAC: 3-chloro-N-(2-chloro-5-nitrophenyl)-6-ethyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide
The XLogP value of 5.931 indicates that 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-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 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-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 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide is 444923-22-2.
What is the molecular formula of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide is C17H12Cl2N2O3S.
What is the molecular weight of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide is 393.99 g/mol.
Where can I buy 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-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 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-{2-chloro-5-nitrophenyl}-6-ethyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.