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CAS 139419-02-6 Uridine, 4′-C-azido-5′-deoxy-5′-iodo-, 2′,3′-dibenzoate molecular structure lightbox
CAS RN: 139419-02-6

Uridine, 4′-C-azido-5′-deoxy-5′-iodo-, 2′,3′-dibenzoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS139419-02-6
  • Purity/Analytical Methods: >99.0%
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139419-02-6 / [(2R,3R,4S,5S)-5-azido-4-benzoyloxy-2-(2,4-dioxopyrimidin-1-yl)-5-(iodomethyl)oxolan-3-yl] benzoate

Standard CAS: 139419-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139419-02-6
Multi CAS
No
Molecular Formula
C23H18IN5O7
Molecular Weight
603.300000
Exact Mass
603.025100
SMILES
C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H]([C@](O[C@H]2N3C=CC(=O)NC3=O)(CI)N=[N+]=[N-])OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18IN5O7/c24-13-23(27-28-25)18(35-21(32)15-9-5-2-6-10-15)17(34-20(31)14-7-3-1-4-8-14)19(36-23)29-12-11-16(30)26-22(29)33/h1-12,17-19H,13H2,(H,26,30,33)/t17-,18+,19-,23-/m1/s1
InChIKey
TYFCRBNYVYTFCX-ISJRUSPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
1
Molar refractivity
133.5
TPSA
165.45

LogP / Solubility

WLOGP
2.96
MLOGP
2.65
XLogP3
4.2
Consensus LogP
3.27
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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