CAS RN: 692059-41-9
Gefitinib InterMediate A
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.20250805 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS692059-41-9
- Purity/Analytical Methods: >99.0%
692059-41-9 / 4-chloro-6-(3-chloropropoxy)-7-methoxyquinazoline
Basic Information
CAS
692059-41-9
Multi CAS
No
Molecular Formula
C12H12CL2N2O2
Molecular Weight
287.140000
Exact Mass
286.027583
InChI
InChI=1S/C12H12Cl2N2O2/c1-17-10-6-9-8(12(14)16-7-15-9)5-11(10)18-4-2-3-13/h5-7H,2-4H2,1H3
InChIKey
RLTQWOJPSCVGSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
71.93
TPSA
44.24
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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