![2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/853/853572-69-7.png)
2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 853572-69-7) is a chemical compound with molecular formula C19H15ClN4O4S and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H15ClN4O4S |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 3.83308 |
| Topological Polar Surface Area | 139.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.05026 |
| Heavy Atoms | 29 |
| Complexity | 1100.3593 |
Chemical Identifiers
| CAS Number | 853572-69-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C#N)C(=O)N |
Product Overview
2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 853572-69-7), with molecular formula C19H15ClN4O4S and molecular weight 430.05 g/mol. IUPAC: 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.83308 indicates that 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-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 139.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 6 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 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 853572-69-7.
What is the molecular formula of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C19H15ClN4O4S.
What is the molecular weight of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 430.05 g/mol.
Where can I buy 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-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 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.