ChemDiv3_014412
TL;DR: ChemDiv3_014412 (CAS 846062-05-3) is a chemical compound with molecular formula C21H22F6N2O and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-1-(1-phenylethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Also Known As: ChemDiv3_014412, IDI1_030210, 2,7,7-trimethyl-1-(1-phenylethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 2,7,7-trimethyl-1-(1-phenylethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one, 2,7,7-TRIMETHYL-1-(1-PHENYLETHYL)-4,4-BIS(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDROQUINAZOLIN-5-ONE
| Molecular Formula | C21H22F6N2O |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 5.9882 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.16364 |
| Heavy Atoms | 30 |
| Complexity | 897.66455 |
Chemical Identifiers
| CAS Number | 846062-05-3 |
|---|---|
| SMILES | CC1=NC(C2=C(N1C(C)C3=CC=CC=C3)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F |
Product Overview
ChemDiv3_014412 (CAS 846062-05-3), with molecular formula C21H22F6N2O and molecular weight 432.16 g/mol. IUPAC: 2,7,7-trimethyl-1-(1-phenylethyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one.
Chemical Property Profile of ChemDiv3_014412
Property Insights of ChemDiv3_014412
The XLogP value of 5.9882 indicates that ChemDiv3_014412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv3_014412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_014412 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_014412?
The CAS number of ChemDiv3_014412 is 846062-05-3.
What is the molecular formula of ChemDiv3_014412?
The molecular formula of ChemDiv3_014412 is C21H22F6N2O.
What is the molecular weight of ChemDiv3_014412?
The molecular weight of ChemDiv3_014412 is 432.16 g/mol.
Where can I buy ChemDiv3_014412?
You can request a quote for ChemDiv3_014412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014412?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.