7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
TL;DR: 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione (CAS 712346-66-2) is a chemical compound with molecular formula C18H17F6N3O2 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
Also Known As: 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione, 2-hydroxy-7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione, 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
| Molecular Formula | C18H17F6N3O2 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.1134 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.1225 |
| Heavy Atoms | 29 |
| Complexity | 859.82294 |
Chemical Identifiers
| CAS Number | 712346-66-2 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(NC(=O)N2CC3=CN=CC=C3)(C(F)(F)F)C(F)(F)F)C |
Product Overview
7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione (CAS 712346-66-2), with molecular formula C18H17F6N3O2 and molecular weight 421.12 g/mol. IUPAC: 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione.
Chemical Property Profile of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
Property Insights of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
The XLogP value of 4.1134 indicates that 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione. Following Lipinski's Rule of Five, 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione has 1 hydrogen bond donor(s) and 3 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 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione?
The CAS number of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione is 712346-66-2.
What is the molecular formula of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione?
The molecular formula of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione is C18H17F6N3O2.
What is the molecular weight of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione?
The molecular weight of 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione is 421.12 g/mol.
Where can I buy 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione?
You can request a quote for 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.