ChemDiv3_007106
TL;DR: ChemDiv3_007106 (CAS 847045-39-0) 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.
1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Also Known As: ChemDiv3_007106, IDI1_025016, BRD-K23646293-001-01-2, 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
| Molecular Formula | C21H22F6N2O |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 5.8173 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.16364 |
| Heavy Atoms | 30 |
| Complexity | 882.31195 |
Chemical Identifiers
| CAS Number | 847045-39-0 |
|---|---|
| SMILES | CCC1=NC(C2=C(N1CC3=CC=CC=C3)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F |
Product Overview
ChemDiv3_007106 (CAS 847045-39-0), with molecular formula C21H22F6N2O and molecular weight 432.16 g/mol. IUPAC: 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one.
Chemical Property Profile of ChemDiv3_007106
Property Insights of ChemDiv3_007106
The XLogP value of 5.8173 indicates that ChemDiv3_007106 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_007106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007106 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_007106?
The CAS number of ChemDiv3_007106 is 847045-39-0.
What is the molecular formula of ChemDiv3_007106?
The molecular formula of ChemDiv3_007106 is C21H22F6N2O.
What is the molecular weight of ChemDiv3_007106?
The molecular weight of ChemDiv3_007106 is 432.16 g/mol.
Where can I buy ChemDiv3_007106?
You can request a quote for ChemDiv3_007106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007106?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.