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CAS 940908-79-2 (2’R)- 2′-Deoxy-2′-fluoro-2′-methylcytidine 3′,5′-bis(2-methylpropanoate) molecular structure lightbox
CAS RN: 940908-79-2

(2’R)- 2′-Deoxy-2′-fluoro-2′-methylcytidine 3′,5′-bis(2-methylpropanoate)

  • Product code: SSC-208640
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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 940908-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

940908-79-2 / [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

Standard CAS: 940908-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
940908-79-2
Multi CAS
Yes
Molecular Formula
C18FH26N3O6
Molecular Weight
399.400000
Exact Mass
399.180564
InChI
InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1
InChIKey
MLESJYFEMSJZLZ-MAAOGQSESA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
96.85
TPSA
122.74

LogP / Solubility

WLOGP
1.22
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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