3-Butyl-4(3H)-quinazolinone
TL;DR: 3-Butyl-4(3H)-quinazolinone (CAS 16417-02-0) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylquinazolin-4-one
Also Known As: 3-butylquinazolin-4-one, 3-Butyl-4(3H)-quinazolinone, 4-Quinazolone, 3-butyl, 4(3H)-Quinazolinone, 3-butyl-, 3-Butylquinazolin-4(3H)-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 16417-02-0 |
|---|---|
| SMILES | CCCCN1C=NC2=CC=CC=C2C1=O |
| InChIKey | ZZSCVVWJRCJHPA-UHFFFAOYSA-N |
Product Overview
3-Butyl-4(3H)-quinazolinone (CAS 16417-02-0), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 3-butylquinazolin-4-one.
Chemical Property Profile of 3-Butyl-4(3H)-quinazolinone
Property Insights of 3-Butyl-4(3H)-quinazolinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 32.7 Ų, 3-Butyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 2 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-Butyl-4(3H)-quinazolinone?
The CAS number of 3-Butyl-4(3H)-quinazolinone is 16417-02-0.
What is the molecular formula of 3-Butyl-4(3H)-quinazolinone?
The molecular formula of 3-Butyl-4(3H)-quinazolinone is C12H14N2O.
What is the molecular weight of 3-Butyl-4(3H)-quinazolinone?
The molecular weight of 3-Butyl-4(3H)-quinazolinone is 202.11 g/mol.
Where can I buy 3-Butyl-4(3H)-quinazolinone?
You can request a quote for 3-Butyl-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.