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CAS 1470018-52-0 AMG2850 molecular structure lightbox
CAS RN: 1470018-52-0

AMG2850

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1470018-52-0
  • Purity/Analytical Methods: >99.0%
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1470018-52-0 / (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

Standard CAS: 1470018-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1470018-52-0
Multi CAS
No
Molecular Formula
C19H17F6N3O
Molecular Weight
417.300000
Exact Mass
417.127581
SMILES
C[C@@H](C(F)(F)F)NC(=O)N1CCC2=C([C@H]1C3=CC=C(C=C3)C(F)(F)F)N=CC=C2
InChI
InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/s1
InChIKey
DDBWYSSPWMXBIY-MEDUHNTESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.98
TPSA
45.23

LogP / Solubility

WLOGP
4.71
MLOGP
4.17
XLogP3
4.2
Consensus LogP
4.36
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

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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