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CAS 1042385-75-0 PF-00299804 molecular structure lightbox
CAS RN: 1042385-75-0

PF-00299804

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250406 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260604 1g In stock Shanghai Inquiry
Batchno.20250806 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250225 5g In stock Shanghai Inquiry
  • Product code: SSC-005994
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1042385-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1042385-75-0 / (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide

Dacomitinib monohydrate | DACOMITINIB HYDRATE | (E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide hydrate

Standard CAS: 1042385-75-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1042385-75-0
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.H2O/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);1H2/b6-5+;
InChIKey
BSPLGGCPNTZPIH-IPZCTEOASA-N
Synonyms
Dacomitinib monohydrate DACOMITINIB HYDRATE (E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide hydrate Dacomitinib Monhydrate Dacomitinib (hydrate)

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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