4-Quinazolinecarbonitrile
TL;DR: 4-Quinazolinecarbonitrile (CAS 36082-71-0) is a chemical compound with molecular formula C9H5N3 and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinazoline-4-carbonitrile
Also Known As: 4-Quinazolinecarbonitrile, Quinazoline-4-carbonitrile, 4-CYANOQUINAZOLINE, 4-Quinazolinecarbonitrile #, J1.398.750E
| Molecular Formula | C9H5N3 |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.04834 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 36082-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC=N2)C#N |
| InChIKey | VBCVBVXRDBPFIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Quinazolinecarbonitrile (CAS 36082-71-0), with molecular formula C9H5N3 and molecular weight 155.05 g/mol. IUPAC: quinazoline-4-carbonitrile.
Chemical Property Profile of 4-Quinazolinecarbonitrile
Property Insights of 4-Quinazolinecarbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinazolinecarbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 4-Quinazolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinazolinecarbonitrile 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 4-Quinazolinecarbonitrile?
The CAS number of 4-Quinazolinecarbonitrile is 36082-71-0.
What is the molecular formula of 4-Quinazolinecarbonitrile?
The molecular formula of 4-Quinazolinecarbonitrile is C9H5N3.
What is the molecular weight of 4-Quinazolinecarbonitrile?
The molecular weight of 4-Quinazolinecarbonitrile is 155.05 g/mol.
Where can I buy 4-Quinazolinecarbonitrile?
You can request a quote for 4-Quinazolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Quinazolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinazolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.