![N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide structure](/static/products/852/852413-41-3.png)
N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide
TL;DR: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide (CAS 852413-41-3) is a chemical compound with molecular formula C28H24N4O3S and molecular weight 496.16 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-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
Also Known As: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide, N-(1-cyano-1-cyclopropylethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide, N-(1-cyano-1-cyclopropylethyl)-2-{[4-oxo-3-(4-phenoxyphenyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C28H24N4O3S |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 5.07858 |
| Topological Polar Surface Area | 97.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.15692 |
| Heavy Atoms | 36 |
| Complexity | 1508.3535 |
Chemical Identifiers
| CAS Number | 852413-41-3 |
|---|---|
| SMILES | CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide (CAS 852413-41-3), with molecular formula C28H24N4O3S and molecular weight 496.16 g/mol. IUPAC: N-(1-cyano-1-cyclopropylethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide
Property Insights of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide
The XLogP value of 5.07858 indicates that N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide?
The CAS number of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide is 852413-41-3.
What is the molecular formula of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide?
The molecular formula of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide is C28H24N4O3S.
What is the molecular weight of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide?
The molecular weight of N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide is 496.16 g/mol.
Where can I buy N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide?
You can request a quote for N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-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-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.