CAS RN: 612500-78-4
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(piperidin-4-yloxy)quinazolin-4-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260107 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS612500-78-4
- Purity/Analytical Methods: >99.0%
612500-78-4 / N-(3-chloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinazolin-4-amine
Basic Information
CAS
612500-78-4
Multi CAS
No
Molecular Formula
C20H20CLFN4O2
Molecular Weight
402.800000
Exact Mass
402.125882
InChI
InChI=1S/C20H20ClFN4O2/c1-27-17-10-16-13(9-18(17)28-12-5-7-23-8-6-12)20(25-11-24-16)26-15-4-2-3-14(21)19(15)22/h2-4,9-12,23H,5-8H2,1H3,(H,24,25,26)
InChIKey
DFNJBNWBONZOQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.3
TPSA
68.3
LogP / Solubility
WLOGP
4.31
MLOGP
3.81
XLogP3
4.2
Consensus LogP
4.11
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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