ChemDiv1_003689
TL;DR: ChemDiv1_003689 (CAS 312627-00-2) is a chemical compound with molecular formula C31H25N3O4 and molecular weight 503.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-5-[3-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]methyl]isoindole-1,3-dione
Also Known As: ChemDiv1_003689, 2-({2-METHOXY-5-[3-(4-METHYLPHENYL)-4-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-2-YL]PHENYL}METHYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE, 2-(2-methoxy-5-(4-oxo-3-(p-tolyl)-1,2,3,4-tetrahydroquinazolin-2-yl)benzyl)isoindoline-1,3-dione, 2-[[2-methoxy-5-[3-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]methyl]isoindole-1,3-dione, 2-{2-methoxy-5-[3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C31H25N3O4 |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 5.57092 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.1845 |
| Heavy Atoms | 38 |
| Complexity | 1560.2554 |
Chemical Identifiers
| CAS Number | 312627-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
ChemDiv1_003689 (CAS 312627-00-2), with molecular formula C31H25N3O4 and molecular weight 503.18 g/mol. IUPAC: 2-[[2-methoxy-5-[3-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_003689
Property Insights of ChemDiv1_003689
The XLogP value of 5.57092 indicates that ChemDiv1_003689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003689. Following Lipinski's Rule of Five, ChemDiv1_003689 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003689?
The CAS number of ChemDiv1_003689 is 312627-00-2.
What is the molecular formula of ChemDiv1_003689?
The molecular formula of ChemDiv1_003689 is C31H25N3O4.
What is the molecular weight of ChemDiv1_003689?
The molecular weight of ChemDiv1_003689 is 503.18 g/mol.
Where can I buy ChemDiv1_003689?
You can request a quote for ChemDiv1_003689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.