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CAS 87865-78-9 N2-Isobutyryl-3′,5′-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)guanosine molecular structure lightbox
CAS RN: 87865-78-9

N2-Isobutyryl-3′,5′-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)guanosine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-198209
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 87865-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

87865-78-9 / N-[9-[(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]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Standard CAS: 87865-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87865-78-9
Multi CAS
Yes
Molecular Formula
C26H45N5O7Si2
Molecular Weight
595.800000
Exact Mass
595.285752
InChI
InChI=1S/C26H45N5O7Si2/c1-13(2)23(33)29-26-28-22-19(24(34)30-26)27-12-31(22)25-20(32)21-18(36-25)11-35-39(14(3)4,15(5)6)38-40(37-21,16(7)8)17(9)10/h12-18,20-21,25,32H,11H2,1-10H3,(H2,28,29,30,33,34)/t18-,20-,21-,25-/m1/s1
InChIKey
RYRMXMSXLHPLAT-GUQHISFFSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
9
Fraction Csp3
0.77
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
3
Molar refractivity
155.34
TPSA
149.82

LogP / Solubility

WLOGP
3.93
MLOGP
3.5
XLogP3
3.93
Consensus LogP
3.79
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

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

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