BAS 11416428
TL;DR: BAS 11416428 (CAS 775289-67-3) is a chemical compound with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
Also Known As: BAS 11416428, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-7-(2-furyl)-4-methyl -6,7,8-trihydroquinazolin-5-one
| Molecular Formula | C25H26N4O4 |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1954 |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 775289-67-3 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC(CC2=O)C6=CC=CO6 |
| InChIKey | QALULPBPXAQUPC-UHFFFAOYSA-N |
Product Overview
BAS 11416428 (CAS 775289-67-3), with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of BAS 11416428
Property Insights of BAS 11416428
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11416428. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11416428. Following Lipinski's Rule of Five, BAS 11416428 has 0 hydrogen bond donor(s) and 8 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 BAS 11416428?
The CAS number of BAS 11416428 is 775289-67-3.
What is the molecular formula of BAS 11416428?
The molecular formula of BAS 11416428 is C25H26N4O4.
What is the molecular weight of BAS 11416428?
The molecular weight of BAS 11416428 is 446.20 g/mol.
Where can I buy BAS 11416428?
You can request a quote for BAS 11416428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11416428?
Yes, KEHONG BIO provides custom synthesis services for BAS 11416428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.