ChemDiv1_003599
TL;DR: ChemDiv1_003599 (CAS 312626-92-9) is a chemical compound with molecular formula C31H27FN2O5 and molecular weight 526.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]benzoate
Also Known As: ChemDiv1_003599, ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]-2-methoxybenzyl}oxy)benzoate, ethyl 2-((5-(3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)benzoate, ETHYL 2-({5-[3-(4-FLUOROPHENYL)-4-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-2-YL]-2-METHOXYPHENYL}METHOXY)BENZOATE, ethyl 2-[[5-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]benzoate
| Molecular Formula | C31H27FN2O5 |
|---|---|
| Molecular Weight | 526.19 g/mol |
| LogP | 6.3611 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.1904 |
| Heavy Atoms | 39 |
| Complexity | 1505.3552 |
Chemical Identifiers
| CAS Number | 312626-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)OC |
Product Overview
ChemDiv1_003599 (CAS 312626-92-9), with molecular formula C31H27FN2O5 and molecular weight 526.19 g/mol. IUPAC: ethyl 2-[[5-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]benzoate.
Chemical Property Profile of ChemDiv1_003599
Property Insights of ChemDiv1_003599
The XLogP value of 6.3611 indicates that ChemDiv1_003599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003599. Following Lipinski's Rule of Five, ChemDiv1_003599 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003599?
The CAS number of ChemDiv1_003599 is 312626-92-9.
What is the molecular formula of ChemDiv1_003599?
The molecular formula of ChemDiv1_003599 is C31H27FN2O5.
What is the molecular weight of ChemDiv1_003599?
The molecular weight of ChemDiv1_003599 is 526.19 g/mol.
Where can I buy ChemDiv1_003599?
You can request a quote for ChemDiv1_003599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003599?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.