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CAS 13242-53-0 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL BROMIDE molecular structure lightbox
CAS RN: 13242-53-0

2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL BROMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-039330
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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 13242-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13242-53-0 / [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate

Standard CAS: 13242-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13242-53-0
Multi CAS
No
Molecular Formula
C14H19BrO9
Molecular Weight
411.200000
Exact Mass
410.021240
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
InChIKey
CYAYKKUWALRRPA-DGTMBMJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
80.88
TPSA
114.43

LogP / Solubility

WLOGP
0.46
MLOGP
0.43
XLogP3
1.5
Consensus LogP
0.8
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-4.9

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
5

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