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CAS 960494-15-9 D-Glucopyranose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-2,3,4,6-tetrakis-O-(triMethylsilyl)- molecular structure lightbox
CAS RN: 960494-15-9

D-Glucopyranose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-2,3,4,6-tetrakis-O-(triMethylsilyl)-

  • Product code: SSC-211873
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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: ≥95%
  • 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 960494-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

960494-15-9 / (3R,4S,5R,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol

Standard CAS: 960494-15-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
960494-15-9
Multi CAS
Yes
Molecular Formula
C33H57CLO7SI4
Molecular Weight
713.600000
Exact Mass
712.286988
InChI
InChI=1S/C33H57ClO7Si4/c1-14-36-27-18-15-24(16-19-27)21-25-22-26(17-20-28(25)34)33(35)32(41-45(11,12)13)31(40-44(8,9)10)30(39-43(5,6)7)29(38-33)23-37-42(2,3)4/h15-20,22,29-32,35H,14,21,23H2,1-13H3/t29-,30-,31+,32-,33?/m1/s1
InChIKey
UTFIOIDDBKLFAJ-PLLWELNYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
194.59
TPSA
75.61

LogP / Solubility

WLOGP
8.39
MLOGP
7.44
XLogP3
8.39
Consensus LogP
8.07
Log S (ESOL)
-8.82
Class (ESOL)
Insoluble
Log S (Ali)
-11.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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