CAS RN: 1197376-85-4

INCB28060 Dihydrochloride

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  • Product code: starshine_CAS1197376-85-4
  • Purity/Analytical Methods: >99.0%
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1197376-85-4 / 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide;dihydrochloride

Capmatinib dihydrochloride | Z0V2EW20JR | capmatinib hydrochloride anhydrous

Standard CAS: 1197376-85-4 Multi CAS: Yes

Basic Information

CAS
1197376-85-4
Multi CAS
Yes
Molecular Formula
C23H19Cl2FN6O
Molecular Weight
485.300000
Exact Mass
484.098143
SMILES
CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F.Cl.Cl
InChI
InChI=1S/C23H17FN6O.2ClH/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;;/h2-9,11-13H,10H2,1H3,(H,25,31);2*1H
InChIKey
ZTNPHABKLIJXTL-UHFFFAOYSA-N
Synonyms
Capmatinib dihydrochloride Z0V2EW20JR capmatinib hydrochloride anhydrous 2-fluoro-n-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide dihydrochloride 2-fluoro-n-methyl-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzamide dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
25
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
128.61
TPSA
85.07

LogP / Solubility

WLOGP
4.27
MLOGP
3.79
XLogP3
4.27
Consensus LogP
4.11
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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