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CAS 475650-36-3 Inarigivir (ORI-9020, SB-9000) molecular structure lightbox
CAS RN: 475650-36-3

Inarigivir (ORI-9020, SB-9000)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 1mg / 5mg / 10mg / 25mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS475650-36-3
  • Purity/Analytical Methods: >99.0%
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475650-36-3 / 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 475650-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
475650-36-3
Multi CAS
Yes
Molecular Formula
C20H26N7O10PS
Molecular Weight
587.500000
Exact Mass
587.119948
InChI
InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1
InChIKey
LYMICVBGNUEHGE-FUQPUAIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
15
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
16
H-bond donors
5
Molar refractivity
134.71
TPSA
231.32

LogP / Solubility

WLOGP
-1.87
MLOGP
-1.6
XLogP3
-1.8
Consensus LogP
-1.76
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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