CAS RN: 5974-93-6

1-(2,3-DIDEOXY-BETA-D-GLYCEROPENT-2-ENOFURANOSYL)URACIL

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Batchno.20250512 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5974-93-6
  • Purity/Analytical Methods: >99.0%
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5974-93-6 / 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Standard CAS: 5974-93-6 Multi CAS: Yes

Basic Information

CAS
5974-93-6
Multi CAS
Yes
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
InChI
InChI=1S/C9H10N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8+/m0/s1
InChIKey
NZXWQUCGACTHLK-POYBYMJQSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.46
TPSA
84.32

LogP / Solubility

WLOGP
-1.02
MLOGP
-0.89
XLogP3
-1.1
Consensus LogP
-1
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-4.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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