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CAS 1571909-13-1 Cytidine, 2′-deoxy-2′,2′-difluoro-N-(2-methyl-1-oxopropyl)- molecular structure lightbox
CAS RN: 1571909-13-1

Cytidine, 2′-deoxy-2′,2′-difluoro-N-(2-methyl-1-oxopropyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: LINC929451
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1571909-13-1 / N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide

Standard CAS: 1571909-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1571909-13-1
Multi CAS
No
Molecular Formula
C13H17F2N3O5
Molecular Weight
333.290000
Exact Mass
333.113627
SMILES
CC(C)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F
InChI
InChI=1S/C13H17F2N3O5/c1-6(2)10(21)16-8-3-4-18(12(22)17-8)11-13(14,15)9(20)7(5-19)23-11/h3-4,6-7,9,11,19-20H,5H2,1-2H3,(H,16,17,21,22)
InChIKey
ZITMEDNPDYYRSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
73.91
TPSA
113.68

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.23
XLogP3
-0.1
Consensus LogP
-0.2
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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