4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
TL;DR: 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile (CAS 727674-66-0) is a chemical compound with molecular formula C19H17N3OS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
Also Known As: BAS 13091488, 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile, 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile, A3766/0159750, 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]butanenitrile
| Molecular Formula | C19H17N3OS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.84068 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.10922 |
| Heavy Atoms | 24 |
| Complexity | 928.73505 |
Chemical Identifiers
| CAS Number | 727674-66-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N |
Product Overview
4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile (CAS 727674-66-0), with molecular formula C19H17N3OS and molecular weight 335.11 g/mol. IUPAC: 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile.
Chemical Property Profile of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
Property Insights of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
The XLogP value of 3.84068 indicates that 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile has 0 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 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile?
The CAS number of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile is 727674-66-0.
What is the molecular formula of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile?
The molecular formula of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile is C19H17N3OS.
What is the molecular weight of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile?
The molecular weight of 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile is 335.11 g/mol.
Where can I buy 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile?
You can request a quote for 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.