3-(4-oxoquinazolin-3(4H)-yl)propanenitrile
TL;DR: 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile (CAS 7455-91-6) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxoquinazolin-3-yl)propanenitrile
Also Known As: 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile, 3-(4-oxoquinazolin-3-yl)propanenitrile, 3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanenitrile, 3-(4-oxo-3-hydroquinazolin-3-yl)propanenitrile, 3-(4-OXO-3(4H)-QUINAZOLINYL)PROPANENITRILE
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.31018 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 580.1381 |
Chemical Identifiers
| CAS Number | 7455-91-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CCC#N |
Product Overview
3-(4-oxoquinazolin-3(4H)-yl)propanenitrile (CAS 7455-91-6), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 3-(4-oxoquinazolin-3-yl)propanenitrile.
Chemical Property Profile of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile
Property Insights of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile
The XLogP value of 1.31018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile?
The CAS number of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile is 7455-91-6.
What is the molecular formula of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile?
The molecular formula of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile is C11H9N3O.
What is the molecular weight of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile?
The molecular weight of 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile is 199.07 g/mol.
Where can I buy 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile?
You can request a quote for 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-oxoquinazolin-3(4H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.