CAS RN: 2119689-75-5
Dacomitinib Impurity SFXJ
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_CAS2119689-75-5
- Purity/Analytical Methods: >99.0%
2119689-75-5 / N-(3,4-difluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Basic Information
CAS
2119689-75-5
Multi CAS
No
Molecular Formula
C15H10F2N4O3
Molecular Weight
332.260000
Exact Mass
332.072097
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]
InChI
InChI=1S/C15H10F2N4O3/c1-24-14-6-12-9(5-13(14)21(22)23)15(19-7-18-12)20-8-2-3-10(16)11(17)4-8/h2-7H,1H3,(H,18,19,20)
InChIKey
QSVCNLXANXBHTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
82.39
TPSA
90.18
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.4
Consensus LogP
3.38
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-2.21
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
2.5
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