![Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate structure](/static/products/5694/5694-27-9.webp)
Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate
TL;DR: Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate (CAS 5694-27-9) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate
Also Known As: BIM-0028306.P001, AB00093829-01, 3-AMINO-3-[(1-CARBOXYETHYL)CARBAMOYL]PROPANOIC ACID, ISOPROPYL 4-CYANO-3-METHYL-5-[(2-PHENYLBUTANOYL)AMINO]-2-THIOPHENECARBOXYLATE, propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 4.6257 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 834.73145 |
Chemical Identifiers
| CAS Number | 5694-27-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N |
Product Overview
Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate (CAS 5694-27-9), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate.
Chemical Property Profile of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate
Property Insights of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate
The XLogP value of 4.6257 indicates that Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate has 1 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 Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate?
The CAS number of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate is 5694-27-9.
What is the molecular formula of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate?
The molecular formula of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate is C20H22N2O3S.
What is the molecular weight of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate?
The molecular weight of Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate is 370.14 g/mol.
Where can I buy Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate?
You can request a quote for Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-cyano-3-methyl-5-[(2-phenylbutanoyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.