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CAS 1312445-63-8 NVP-BKM120 (Hydrochloride) molecular structure lightbox
CAS RN: 1312445-63-8

NVP-BKM120 (Hydrochloride)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1312445-63-8
  • Purity/Analytical Methods: >99.0%
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1312445-63-8 / 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

Standard CAS: 1312445-63-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1312445-63-8
Multi CAS
No
Molecular Formula
C18H22ClF3N6O2
Molecular Weight
446.900000
Exact Mass
446.144486
SMILES
C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4.Cl
InChI
InChI=1S/C18H21F3N6O2.ClH/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h9-11H,1-8H2,(H2,22,23);1H
InChIKey
DGPLYAXBXJXEID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
107.99
TPSA
89.63

LogP / Solubility

WLOGP
2.23
MLOGP
2
XLogP3
2.23
Consensus LogP
2.15
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, and P501

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