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CAS 129816-30-4 5′-O-(tert-Butyldimethylsilyl)-5-fluoro-2′-deoxyuridine molecular structure lightbox
CAS RN: 129816-30-4

5′-O-(tert-Butyldimethylsilyl)-5-fluoro-2′-deoxyuridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: LINO929102
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129816-30-4 / 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione

Standard CAS: 129816-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129816-30-4
Multi CAS
No
Molecular Formula
C15H25FN2O5Si
Molecular Weight
360.450000
Exact Mass
360.151677
SMILES
CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O
InChI
InChI=1S/C15H25FN2O5Si/c1-15(2,3)24(4,5)22-8-11-10(19)6-12(23-11)18-7-9(16)13(20)17-14(18)21/h7,10-12,19H,6,8H2,1-5H3,(H,17,20,21)
InChIKey
RSKVXJDBHJDELD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.96
TPSA
93.55

LogP / Solubility

WLOGP
1.35
MLOGP
1.2
XLogP3
1.35
Consensus LogP
1.3
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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