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CAS 143157-27-1 2′,2′-Difluoro-2′-deoxyuridine 3′,5′-Dibenzoate molecular structure lightbox
CAS RN: 143157-27-1

2′,2′-Difluoro-2′-deoxyuridine 3′,5′-Dibenzoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS143157-27-1
  • Purity/Analytical Methods: >99.0%
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143157-27-1 / [(2R,3R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methyl benzoate

Standard CAS: 143157-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143157-27-1
Multi CAS
No
Molecular Formula
C23H18F2N2O7
Molecular Weight
472.400000
Exact Mass
472.108207
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=O)NC3=O)(F)F)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18F2N2O7/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)27-12-11-17(28)26-22(27)31/h1-12,16,18,21H,13H2,(H,26,28,31)/t16-,18-,21-/m1/s1
InChIKey
DBSVRWFIIMWGLT-HGHGUNKESA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
112.55
TPSA
116.69

LogP / Solubility

WLOGP
2.15
MLOGP
1.93
XLogP3
2.9
Consensus LogP
2.33
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07

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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