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CAS 874638-98-9 Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-Methyl-, (2’R)- (9CI) molecular structure lightbox
CAS RN: 874638-98-9

Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-Methyl-, (2’R)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS874638-98-9
  • Purity/Analytical Methods: >99.0%
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874638-98-9 / N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Standard CAS: 874638-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874638-98-9
Multi CAS
Yes
Molecular Formula
C17FH18N3O5
Molecular Weight
363.340000
Exact Mass
363.123049
InChI
InChI=1S/C17H18FN3O5/c1-17(18)13(23)11(9-22)26-15(17)21-8-7-12(20-16(21)25)19-14(24)10-5-3-2-4-6-10/h2-8,11,13,15,22-23H,9H2,1H3,(H,19,20,24,25)/t11-,13-,15-,17-/m1/s1
InChIKey
FHQBHYHWKPVUEZ-WBMRYOJMSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
89.41
TPSA
113.68

LogP / Solubility

WLOGP
0.47
MLOGP
0.44
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-4.6

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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