N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide
TL;DR: N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide (CAS 853571-75-2) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyano-1-cyclopropylethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
Also Known As: N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide, N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-acetamide, N-(1-cyano-1-cyclopropylethyl)-2-({4-oxo-3-[2-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide, N-(1-cyano-1-cyclopropylethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.40968 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1272.9075 |
Chemical Identifiers
| CAS Number | 853571-75-2 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4 |
Product Overview
N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide (CAS 853571-75-2), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: N-(1-cyano-1-cyclopropylethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide
Property Insights of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide
The XLogP value of 4.40968 indicates that N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide 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 N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide?
The CAS number of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide is 853571-75-2.
What is the molecular formula of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide?
The molecular formula of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide is C25H26N4O2S.
What is the molecular weight of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide?
The molecular weight of N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide is 446.18 g/mol.
Where can I buy N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide?
You can request a quote for N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Cyano-1-cyclopropylethyl)-2-((3-(2-isopropylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.