N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
TL;DR: N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CAS 896359-41-4) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
Also Known As: VU0306484-3, N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide, N-[2-(benzylsulfanyl)ethyl]-4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide, N-[2-(benzylthio)ethyl]-4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide, N-(2-(benzylthio)ethyl)-4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamide
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 2.5196 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 1043.9403 |
Chemical Identifiers
| CAS Number | 896359-41-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O |
Product Overview
N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CAS 896359-41-4), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
Chemical Property Profile of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
Property Insights of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
The XLogP value of 2.5196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide. Following Lipinski's Rule of Five, N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide 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 N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The CAS number of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is 896359-41-4.
What is the molecular formula of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The molecular formula of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is C21H23N3O3S.
What is the molecular weight of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The molecular weight of N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is 397.15 g/mol.
Where can I buy N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
You can request a quote for N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzylsulfanylethyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.