2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 302552-86-9) is a chemical compound with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BIM-0035487.P001, 2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, A2672/0113806, (E)-2-(2-cyano-3-phenylacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H17N3O2S |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 3.27148 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.10416 |
| Heavy Atoms | 25 |
| Complexity | 891.3833 |
Chemical Identifiers
| CAS Number | 302552-86-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N)C(=O)N |
Product Overview
2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 302552-86-9), with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol. IUPAC: 2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.27148 indicates that 2((2-Cyano-3-PH-acryloyl)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 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 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 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 302552-86-9.
What is the molecular formula of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C19H17N3O2S.
What is the molecular weight of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 351.10 g/mol.
Where can I buy 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2((2-Cyano-3-PH-acryloyl)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((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.