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CAS 98983-40-5 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one molecular structure lightbox
CAS RN: 98983-40-5

9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98983-40-5
  • Purity/Analytical Methods: >99.0%
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98983-40-5 / 9-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one

Standard CAS: 98983-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98983-40-5
Multi CAS
Yes
Molecular Formula
C10FH11N4O4
Molecular Weight
270.220000
Exact Mass
270.076433
InChI
InChI=1S/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5+,7-,10-/m1/s1
InChIKey
NRVOTDBYJXFINS-GQTRHBFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
61.7
TPSA
107.08

LogP / Solubility

WLOGP
-1.92
MLOGP
-1.68
XLogP3
-1.4
Consensus LogP
-1.67
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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