2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
TL;DR: 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one (CAS 900875-62-9) is a chemical compound with molecular formula C19H19F6N3O and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Also Known As: 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one, 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
| Molecular Formula | C19H19F6N3O |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 4.8222 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.14322 |
| Heavy Atoms | 29 |
| Complexity | 869.4458 |
Chemical Identifiers
| CAS Number | 900875-62-9 |
|---|---|
| SMILES | CC1=NC(C2=C(N1CC3=CC=CC=N3)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F |
Product Overview
2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one (CAS 900875-62-9), with molecular formula C19H19F6N3O and molecular weight 419.14 g/mol. IUPAC: 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one.
Chemical Property Profile of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Property Insights of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
The XLogP value of 4.8222 indicates that 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 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 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one?
The CAS number of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one is 900875-62-9.
What is the molecular formula of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one?
The molecular formula of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one is C19H19F6N3O.
What is the molecular weight of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one?
The molecular weight of 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one is 419.14 g/mol.
Where can I buy 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one?
You can request a quote for 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.