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CAS 750598-20-0 4-Amino-5-fluoro-7-(-D-ribofuranosyl)-7H-pyrrolo[2.3-d]-pyrimidine molecular structure lightbox
CAS RN: 750598-20-0

4-Amino-5-fluoro-7-(-D-ribofuranosyl)-7H-pyrrolo[2.3-d]-pyrimidine

  • Product code: SSC-184565
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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 750598-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

750598-20-0 / (2R,3R,4S,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Standard CAS: 750598-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
750598-20-0
Multi CAS
Yes
Molecular Formula
C11FH13N4O4
Molecular Weight
284.240000
Exact Mass
284.092083
InChI
InChI=1S/C11H13FN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKey
KRRZKBNCONNKPI-IOSLPCCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
64.91
TPSA
126.65

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.08
XLogP3
-1.2
Consensus LogP
-1.17
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-5.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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