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CAS 5158-64-5 2,3,4-TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL BROMIDE molecular structure lightbox
CAS RN: 5158-64-5

2,3,4-TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL BROMIDE

  • Product code: SSC-158487
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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, 5g
  • 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 5158-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

5158-64-5 / (4,5-diacetyloxy-6-bromo-2-methyloxan-3-yl) acetate

Standard CAS: 5158-64-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5158-64-5
Multi CAS
Yes
Molecular Formula
C12H17BRO7
Molecular Weight
353.160000
Exact Mass
352.015770
InChI
InChI=1S/C12H17BrO7/c1-5-9(18-6(2)14)10(19-7(3)15)11(12(13)17-5)20-8(4)16/h5,9-12H,1-4H3/t5-,9+,10+,11+,12+/m0/s1
InChIKey
XUZQAPSYNYIKSR-QLOSAFNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
69.92
TPSA
88.13

LogP / Solubility

WLOGP
0.92
MLOGP
0.83
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

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
No
Log Kp (skin permeation)
-4.22

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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