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CAS 97626-18-1 1-[2-deoxy-3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-β-D-ribofuranosyl]thymine molecular structure lightbox
CAS RN: 97626-18-1

1-[2-deoxy-3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-β-D-ribofuranosyl]thymine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97626-18-1
  • Purity/Analytical Methods: >99.0%
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97626-18-1 / 1-[(6aR,8R,9aS)-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: 97626-18-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97626-18-1
Multi CAS
Yes
Molecular Formula
C22H40N2O6Si2
Molecular Weight
484.700000
Exact Mass
484.242490
InChI
InChI=1S/C22H40N2O6Si2/c1-13(2)31(14(3)4)27-12-19-18(29-32(30-31,15(5)6)16(7)8)10-20(28-19)24-11-17(9)21(25)23-22(24)26/h11,13-16,18-20H,10,12H2,1-9H3,(H,23,25,26)/t18-,19+,20+/m0/s1
InChIKey
HBSKJJBQGMVUQG-XUVXKRRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
128.4
TPSA
91.78

LogP / Solubility

WLOGP
4.09
MLOGP
3.63
XLogP3
4.09
Consensus LogP
3.94
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-2.77

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

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