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CAS 137792-66-6 2,6-Anhydro-5-deoxy-1-O-[(1,1-dimethylethyl)diphenylsilyl]-3,4-O-(1-methylethylidene)-D-arabino-hex-5-enitol molecular structure lightbox
CAS RN: 137792-66-6

2,6-Anhydro-5-deoxy-1-O-[(1,1-dimethylethyl)diphenylsilyl]-3,4-O-(1-methylethylidene)-D-arabino-hex-5-enitol

  • Product code: SSC-047419
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 137792-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry

137792-66-6 / [(3aR,4R,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane

Standard CAS: 137792-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137792-66-6
Multi CAS
No
Molecular Formula
C25H32O4Si
Molecular Weight
424.600000
Exact Mass
424.206986
SMILES
CC1(O[C@@H]2C=CO[C@@H]([C@@H]2O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI
InChI=1S/C25H32O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-18-22-23-21(16-17-26-22)28-25(4,5)29-23/h6-17,21-23H,18H2,1-5H3/t21-,22-,23-/m1/s1
InChIKey
DILLXPKGHGGSCI-DNVJHFABSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
121.41
TPSA
36.92

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

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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