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CAS 81058-27-7 Tetra-O-pivaloyl-α-D-glucopyranosyl Bromide molecular structure lightbox
CAS RN: 81058-27-7

Tetra-O-pivaloyl-α-D-glucopyranosyl Bromide

  • Product code: SSC-189632
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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: 5g, 10g, 100g, 25g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 81058-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
100g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 1 In Stock Shanghai Inquiry
500g ≥95% 0 Out of Stock Beijing Inquiry

81058-27-7 / [(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Standard CAS: 81058-27-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81058-27-7
Multi CAS
Yes
Molecular Formula
C26H43BRO9
Molecular Weight
579.500000
Exact Mass
578.209050
InChI
InChI=1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey
BSDBCYHGMPHOAL-SFFUCWETSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.85
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
136.01
TPSA
114.43

LogP / Solubility

WLOGP
4.57
MLOGP
4.07
XLogP3
7.1
Consensus LogP
5.25
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

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

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