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CAS 68498-26-0 3,N(4)-ethenodeoxycytidine molecular structure lightbox
CAS RN: 68498-26-0

3,N(4)-ethenodeoxycytidine

  • Product code: SSC-178214
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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: 0.25g
  • 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 68498-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

68498-26-0 / 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one

Standard CAS: 68498-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68498-26-0
Multi CAS
Yes
Molecular Formula
C11H13N3O4
Molecular Weight
251.240000
Exact Mass
251.090606
InChI
InChI=1S/C11H13N3O4/c15-6-8-7(16)5-10(18-8)14-3-1-9-12-2-4-13(9)11(14)17/h1-4,7-8,10,15-16H,5-6H2/t7-,8+,10+/m0/s1
InChIKey
UFLBVEMEAYZXKY-QXFUBDJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
61.07
TPSA
88.99

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.75
XLogP3
-0.5
Consensus LogP
-0.7
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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