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CAS 851881-59-9 (R)-ADX-47273 molecular structure lightbox
CAS RN: 851881-59-9

(R)-ADX-47273

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS851881-59-9
  • Purity/Analytical Methods: >99.0%
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851881-59-9 / (4-fluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Standard CAS: 851881-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851881-59-9
Multi CAS
Yes
Molecular Formula
C20F2H17N3O2
Molecular Weight
369.400000
Exact Mass
369.128883
InChI
InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m1/s1
InChIKey
VXQCCZHCFBHTTD-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.97
TPSA
59.23

LogP / Solubility

WLOGP
4.03
MLOGP
3.57
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

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)
-2.11

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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