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CAS 1449277-10-4 GNE-495 molecular structure lightbox
CAS RN: 1449277-10-4

GNE-495

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7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250404 100mg Out of stock Inquiry
Batchno.20251114 10mg In stock Shanghai Inquiry
Batchno.20250610 1mg In stock Shanghai Inquiry
Batchno.20250504 25mg Out of stock Inquiry
Batchno.20250809 50mg Out of stock Inquiry
Batchno.20260113 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 1mg / 5mg / 25mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1449277-10-4
  • Purity/Analytical Methods: >99.0%
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1449277-10-4 / 8-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide

Standard CAS: 1449277-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449277-10-4
Multi CAS
No
Molecular Formula
C22H20FN5O2
Molecular Weight
405.400000
Exact Mass
405.160103
SMILES
C1CC1C(=O)N2CC(C2)NC(=O)C3=CN=C(C4=C3C=CC(=N4)C5=CC(=CC=C5)F)N
InChI
InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29)
InChIKey
FYXCIBJXJYBWPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
109.9
TPSA
101.21

LogP / Solubility

WLOGP
2.37
MLOGP
2.11
XLogP3
1.6
Consensus LogP
2.03
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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)
-3.51

Drug-likeness / Medicinal Chemistry

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

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