ChemDiv3_014368
TL;DR: ChemDiv3_014368 (CAS 712346-76-4) is a chemical compound with molecular formula C21H20F6N2O4 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-yl]benzoate
Also Known As: ChemDiv3_014368, IDI1_030166, ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-yl]benzoate, ethyl 4-(7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-3,4,5,6,7,8-hexahydroquinazolin-1(2H)-yl)benzoate, ethyl 4-[2-hydroxy-7,7-dimethyl-5-oxo-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]benzoate
| Molecular Formula | C21H20F6N2O4 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 4.8995 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.13272 |
| Heavy Atoms | 33 |
| Complexity | 1010.67584 |
Chemical Identifiers
| CAS Number | 712346-76-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(NC2=O)(C(F)(F)F)C(F)(F)F |
Product Overview
ChemDiv3_014368 (CAS 712346-76-4), with molecular formula C21H20F6N2O4 and molecular weight 478.13 g/mol. IUPAC: ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-yl]benzoate.
Chemical Property Profile of ChemDiv3_014368
Property Insights of ChemDiv3_014368
The XLogP value of 4.8995 indicates that ChemDiv3_014368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014368. Following Lipinski's Rule of Five, ChemDiv3_014368 has 1 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 ChemDiv3_014368?
The CAS number of ChemDiv3_014368 is 712346-76-4.
What is the molecular formula of ChemDiv3_014368?
The molecular formula of ChemDiv3_014368 is C21H20F6N2O4.
What is the molecular weight of ChemDiv3_014368?
The molecular weight of ChemDiv3_014368 is 478.13 g/mol.
Where can I buy ChemDiv3_014368?
You can request a quote for ChemDiv3_014368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014368?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.