CAS RN: 2413212-07-2
Afatinib Impurity 6
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.20250825 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2413212-07-2
- Purity/Analytical Methods: >99.0%
2413212-07-2 / 4-N-(4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
Basic Information
CAS
2413212-07-2
Multi CAS
No
Molecular Formula
C18H17FN4O2
Molecular Weight
340.400000
Exact Mass
340.133554
SMILES
C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC=C(C=C4)F)N
InChI
InChI=1S/C18H17FN4O2/c19-11-1-3-12(4-2-11)23-18-14-7-15(20)17(8-16(14)21-10-22-18)25-13-5-6-24-9-13/h1-4,7-8,10,13H,5-6,9,20H2,(H,21,22,23)/t13-/m0/s1
InChIKey
DCBBEFYNODKZDK-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.49
TPSA
82.29
LogP / Solubility
WLOGP
3.26
MLOGP
2.89
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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