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CAS 1330003-04-7 CZC-25146 hydrochloride molecular structure lightbox
CAS RN: 1330003-04-7

CZC-25146 hydrochloride

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6 package records4 with current stock2 grade groups
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Batchno.20250306 10mg In stock Inquiry
Batchno.20250101 25mg In stock Inquiry
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Batchno.20251205 10mg Out of stock Inquiry
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  • Product code: starshine_CAS1330003-04-7
  • Purity/Analytical Methods: >99.0%
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1330003-04-7 / N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride

Standard CAS: 1330003-04-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1330003-04-7
Multi CAS
No
Molecular Formula
C22H26ClFN6O4S
Molecular Weight
525.000000
Exact Mass
524.140880
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F.Cl
InChI
InChI=1S/C22H25FN6O4S.ClH/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31;/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27);1H
InChIKey
SKYQTYQDKAOHLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
136.74
TPSA
117.71

LogP / Solubility

WLOGP
3.74
MLOGP
3.33
XLogP3
3.74
Consensus LogP
3.6
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

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