BAS 12290517
TL;DR: BAS 12290517 (CAS 777866-68-9) is a chemical compound with molecular formula C21H24N4O3 and molecular weight 380.18 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]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
Also Known As: BAS 12290517, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7,8-dihydroquinazolin-5(6H)-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-4-methyl-6,7,8-trihy droquinazolin-5-one
| Molecular Formula | C21H24N4O3 |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | 2.35492 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.18484 |
| Heavy Atoms | 28 |
| Complexity | 922.107 |
Chemical Identifiers
| CAS Number | 777866-68-9 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CCCC2=O |
Product Overview
BAS 12290517 (CAS 777866-68-9), with molecular formula C21H24N4O3 and molecular weight 380.18 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of BAS 12290517
Property Insights of BAS 12290517
The XLogP value of 2.35492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290517. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290517. Following Lipinski's Rule of Five, BAS 12290517 has 0 hydrogen bond donor(s) and 7 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 12290517?
The CAS number of BAS 12290517 is 777866-68-9.
What is the molecular formula of BAS 12290517?
The molecular formula of BAS 12290517 is C21H24N4O3.
What is the molecular weight of BAS 12290517?
The molecular weight of BAS 12290517 is 380.18 g/mol.
Where can I buy BAS 12290517?
You can request a quote for BAS 12290517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290517?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.