CAS RN: 338992-12-4
N-DeMethyl Vandetanib
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.20260304 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS338992-12-4
- Purity/Analytical Methods: >99.0%
338992-12-4 / N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
Basic Information
CAS
338992-12-4
Multi CAS
No
Molecular Formula
BC21H22N4O2Rf
Molecular Weight
461.300000
Exact Mass
460.091020
InChI
InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)
InChIKey
HTCPERSEGREUFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
114.56
TPSA
68.3
LogP / Solubility
WLOGP
4.66
MLOGP
4.13
XLogP3
4.5
Consensus LogP
4.43
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
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)
-2.22
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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