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CAS 130983-87-8 3′,5′-TIPS-5-Me-Uridine molecular structure lightbox
CAS RN: 130983-87-8

3′,5′-TIPS-5-Me-Uridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS130983-87-8
  • Purity/Analytical Methods: >99.0%
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130983-87-8 / 1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 130983-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130983-87-8
Multi CAS
No
Molecular Formula
C22H40N2O7Si2
Molecular Weight
500.700000
Exact Mass
500.237405
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]3[C@H](O2)CO[Si](O[Si](O3)(C(C)C)C(C)C)(C(C)C)C(C)C)O
InChI
InChI=1S/C22H40N2O7Si2/c1-12(2)32(13(3)4)28-11-17-19(30-33(31-32,14(5)6)15(7)8)18(25)21(29-17)24-10-16(9)20(26)23-22(24)27/h10,12-15,17-19,21,25H,11H2,1-9H3,(H,23,26,27)/t17-,18-,19-,21-/m1/s1
InChIKey
FXSUFWJWZYCZNU-ANTGDGSKSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
129.79
TPSA
112.01

LogP / Solubility

WLOGP
3.06
MLOGP
2.73
XLogP3
3.06
Consensus LogP
2.95
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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