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CAS 4049-33-6 1,2,3,4-TETRA-O-ACETYL-BETA-D-XYLOPYRANOSE molecular structure lightbox
CAS RN: 4049-33-6

1,2,3,4-TETRA-O-ACETYL-BETA-D-XYLOPYRANOSE

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100g In stock Shanghai, Chengdu Inquiry
Batchno.20260316 1g In stock Shanghai Inquiry
Batchno.20250315 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260328 25g In stock Shanghai Inquiry
Batchno.20260518 500g In stock Shanghai Inquiry
Batchno.20260402 5g In stock Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-148669
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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: 25g
  • 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 4049-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

4049-33-6 / (4,5,6-triacetyloxyoxan-3-yl) acetate

Standard CAS: 4049-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4049-33-6
Multi CAS
Yes
Molecular Formula
C13H18O9
Molecular Weight
318.280000
Exact Mass
318.095082
InChI
InChI=1S/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13+/m1/s1
InChIKey
MJOQJPYNENPSSS-XQHKEYJVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
68.17
TPSA
114.43

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.25
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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