![2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide structure](/static/products/875/875113-41-0.png)
2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide
TL;DR: 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide (CAS 875113-41-0) is a chemical compound with molecular formula C22H23N5OS and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]amino]but-2-enamide
Also Known As: 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide, (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]but-2-enamide
| Molecular Formula | C22H23N5OS |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 4.16592 |
| Topological Polar Surface Area | 96.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.16232 |
| Heavy Atoms | 29 |
| Complexity | 1102.1738 |
Chemical Identifiers
| CAS Number | 875113-41-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)N/C(=C(\C#N)/C(=O)N)/C |
Product Overview
2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide (CAS 875113-41-0), with molecular formula C22H23N5OS and molecular weight 405.16 g/mol. IUPAC: (E)-2-cyano-3-[[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]amino]but-2-enamide.
Chemical Property Profile of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide
Property Insights of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide
The XLogP value of 4.16592 indicates that 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide has 2 hydrogen bond donor(s) and 5 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-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide?
The CAS number of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide is 875113-41-0.
What is the molecular formula of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide?
The molecular formula of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide is C22H23N5OS.
What is the molecular weight of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide?
The molecular weight of 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide is 405.16 g/mol.
Where can I buy 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide?
You can request a quote for 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-({4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}amino)but-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.