CAS RN: 1237744-13-6
QNZ-46
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1237744-13-6
- Purity/Analytical Methods: >99.0%
1237744-13-6 / 4-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
Basic Information
CAS
1237744-13-6
Multi CAS
No
Molecular Formula
C24H17N3O6
Molecular Weight
443.400000
Exact Mass
443.111735
SMILES
COC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=C(C=C3)C(=O)O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14H,1H3,(H,29,30)/b12-5+
InChIKey
GNLVJIICVWDSNI-LFYBBSHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
122.88
TPSA
124.56
LogP / Solubility
WLOGP
4.17
MLOGP
3.7
XLogP3
3.8
Consensus LogP
3.89
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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