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CAS 75783-45-8 5-O-(tert-Butyldiphenylsilyl)-1,2-O-isopropylidene-alpha-D-erythro-pentofuranos-3-ulose molecular structure lightbox
CAS RN: 75783-45-8

5-O-(tert-Butyldiphenylsilyl)-1,2-O-isopropylidene-alpha-D-erythro-pentofuranos-3-ulose

  • Product code: SSC-185214
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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 75783-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

75783-45-8 / (3aR,5R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one

Standard CAS: 75783-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75783-45-8
Multi CAS
Yes
Molecular Formula
C24H30O5Si
Molecular Weight
426.600000
Exact Mass
426.186251
InChI
InChI=1S/C24H30O5Si/c1-23(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-16-19-20(25)21-22(27-19)29-24(4,5)28-21/h6-15,19,21-22H,16H2,1-5H3/t19-,21-,22-/m1/s1
InChIKey
LVVPFDIKDGCSOA-CEMLEFRQSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
117.28
TPSA
53.99

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
3.01
Consensus LogP
2.9
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19

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
4.5

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