dacomitinib

CAS 1110813-31-4C24H25ClFN5O2MW 469.9

dacomitinib (CAS 1110813-31-4) — formula C24H25ClFN5O2, molecular weight 469.9.

Product Overview

CAS Number	1110813-31-4
Molecular Formula	C24H25ClFN5O2
Molecular Weight	469.9
Melting Point	184-187 ºC
Boiling Point	665.7
LogP	3.92

Technical Profile

What this product is

dacomitinib is a chemical compound with CAS registry number 1110813-31-4 and molecular formula C24H25ClFN5O2 (molecular weight 469.9).

Identification

CAS number: 1110813-31-4

Its molecular formula C24H25ClFN5O2 comprises 24 C, 25 H, 1 Cl, 1 F, 5 N, 2 O atoms.

Also known as: dacomitinib · 达克替尼

Frequently Asked Questions

What is the CAS number of dacomitinib?

The CAS registry number of dacomitinib is 1110813-31-4.

What is the molecular formula and molecular weight of dacomitinib?

Molecular formula C24H25ClFN5O2, molecular weight 469.9.

What other names is dacomitinib known by?

It is also registered under: dacomitinib, 达克替尼.

PubChem Public Data

Independent reference data for dacomitinib (CAS 1110813-31-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	1110813-31-4
PubChem CID	11511120
Molecular formula	C24H25ClFN5O2
IUPAC name	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
UNII (FDA)	2XJX250C20

Computed descriptors

Molecular Weight	469.9
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	469.1680809
Monoisotopic Mass	469.1680809
Topological Polar Surface Area	79.4
Heavy Atom Count	33

Physicochemical values on record

Boiling Point	665.7
Melting Point	184-187 ºC
Solubility	<1 mg/mL
LogP	3.92

Documented uses on record

Synonyms and trade names

Dacomitinib; 1110813-31-4; PF-00299804; Dacomitinib anhydrous; dacomitinibum; Vizimpro; PF-299804; 2XJX250C20; pf00299804; PF 00299804-03; PF-00299804-03; (2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide; CHEBI:132268; DTXSID50149493; (2E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)-4-PIPERIDIN-1-YLBUT-2-ENAMIDE; 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-

What the public record says

dacomitinib · CAS 1110813-31-4 · C24H25ClFN5O2. UNII 2XJX250C20. Boiling Point: 665.7; Melting Point: 184-187 ºC; Solubility: <1 mg/mL.

Source: PubChem / Wikidata; the batch COA governs where values differ.