3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone
TL;DR: 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone (CAS 82326-88-3) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-4(3H)-quinazolinone, 3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one, 3-[(2H-1,3-Benzodioxol-5-yl)methyl]quinazolin-4(3H)-one, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dihydroquinazolin-4-one, RefChem:273108
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.1735 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 886.06964 |
Chemical Identifiers
| CAS Number | 82326-88-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=NC4=CC=CC=C4C3=O |
Product Overview
3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone (CAS 82326-88-3), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone
Property Insights of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone
The XLogP value of 2.1735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 53.35 Ų, 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone 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 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone is 82326-88-3.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone is C16H12N2O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone is 280.08 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.