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CAS 157024-75-4 1-(3,5-BIS-O-(TETRAHYDRO-2H-PYRAN-2-YL)-BETA-D-ARABINOFURANOSYL)-2,4(1H,3H)-PYRIMIDINEDIONE molecular structure lightbox
CAS RN: 157024-75-4

1-(3,5-BIS-O-(TETRAHYDRO-2H-PYRAN-2-YL)-BETA-D-ARABINOFURANOSYL)-2,4(1H,3H)-PYRIMIDINEDIONE

  • Product code: SSC-066230
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 157024-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

157024-75-4 / 1-[3-hydroxy-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 157024-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157024-75-4
Multi CAS
No
Molecular Formula
C19H28N2O8
Molecular Weight
412.400000
Exact Mass
412.184566
SMILES
C1CCOC(C1)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OC4CCCCO4
InChI
InChI=1S/C19H28N2O8/c22-13-7-8-21(19(24)20-13)18-16(23)17(29-15-6-2-4-10-26-15)12(28-18)11-27-14-5-1-3-9-25-14/h7-8,12,14-18,23H,1-6,9-11H2,(H,20,22,24)
InChIKey
MKSDSGIDYCYKAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
99.25
TPSA
121.24

LogP / Solubility

WLOGP
0.25
MLOGP
0.25
XLogP3
0.3
Consensus LogP
0.27
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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