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CAS 137893-35-7 6-O-(TERT-BUTYLDIPHENYLSILYL)-D-GALACTAL molecular structure lightbox
CAS RN: 137893-35-7

6-O-(TERT-BUTYLDIPHENYLSILYL)-D-GALACTAL

  • Product code: SSC-047638
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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 137893-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

137893-35-7 / (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

Standard CAS: 137893-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137893-35-7
Multi CAS
No
Molecular Formula
C22H28O4Si
Molecular Weight
384.500000
Exact Mass
384.175686
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]([C@@H](C=CO3)O)O
InChI
InChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-21(24)19(23)14-15-25-20/h4-15,19-21,23-24H,16H2,1-3H3/t19-,20-,21-/m1/s1
InChIKey
HIVBZUOTQALJIU-NJDAHSKKSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.6
TPSA
58.92

LogP / Solubility

WLOGP
2.2
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
No
Log Kp (skin permeation)
-3.51

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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