CAS RN: 1110813-31-4
Dacomitinib
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250110 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250720 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251016 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250529 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20251110 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260330 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250714 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTD5450
- Purity/Analytical Methods: >98.0%(HPLC)
1110813-31-4 / (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
Dacomitinib | PF-00299804 | Dacomitinib anhydrous
Basic Information
CAS
1110813-31-4
Multi CAS
Yes
Molecular Formula
C24H25ClFN5O2
Molecular Weight
469.900000
Exact Mass
469.168081
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4
InChI
InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
InChIKey
LVXJQMNHJWSHET-AATRIKPKSA-N
Synonyms
Dacomitinib
PF-00299804
Dacomitinib anhydrous
Vizimpro
dacomitinibum
Physical Properties
Melting Point
184-187 ºC
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
128.84
TPSA
79.38
LogP / Solubility
WLOGP
5.16
MLOGP
4.57
XLogP3
4.4
Consensus LogP
4.71
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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