ChemDiv3_007150
TL;DR: ChemDiv3_007150 (CAS 712346-63-9) is a chemical compound with molecular formula C17H16F6N2O3 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione
Also Known As: ChemDiv3_007150, IDI1_025060, BRD-K77933107-001-01-5, 1-(furan-2-ylmethyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione, 1-(2-furylmethyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
| Molecular Formula | C17H16F6N2O3 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 4.3114 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.1065 |
| Heavy Atoms | 28 |
| Complexity | 822.06445 |
Chemical Identifiers
| CAS Number | 712346-63-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(NC(=O)N2CC3=CC=CO3)(C(F)(F)F)C(F)(F)F)C |
Product Overview
ChemDiv3_007150 (CAS 712346-63-9), with molecular formula C17H16F6N2O3 and molecular weight 410.11 g/mol. IUPAC: 1-(furan-2-ylmethyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazoline-2,5-dione.
Chemical Property Profile of ChemDiv3_007150
Property Insights of ChemDiv3_007150
The XLogP value of 4.3114 indicates that ChemDiv3_007150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007150. Following Lipinski's Rule of Five, ChemDiv3_007150 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 ChemDiv3_007150?
The CAS number of ChemDiv3_007150 is 712346-63-9.
What is the molecular formula of ChemDiv3_007150?
The molecular formula of ChemDiv3_007150 is C17H16F6N2O3.
What is the molecular weight of ChemDiv3_007150?
The molecular weight of ChemDiv3_007150 is 410.11 g/mol.
Where can I buy ChemDiv3_007150?
You can request a quote for ChemDiv3_007150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007150?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.