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CAS 29781-80-4 N-OCTYL ALPHA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 29781-80-4

N-OCTYL ALPHA-D-GLUCOPYRANOSIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-132946
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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: >98%
  • 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 29781-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Shanghai Inquiry

29781-80-4 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol

Standard CAS: 29781-80-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
29781-80-4
Multi CAS
Yes
Molecular Formula
C14H28O6
Molecular Weight
292.370000
Exact Mass
292.188589
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
HEGSGKPQLMEBJL-RKQHYHRCSA-N

Physical Properties

Physical Description
White solid; [Merck Index] White to off-white hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
73.1
TPSA
99.38

LogP / Solubility

WLOGP
0.16
MLOGP
0.15
XLogP3
1.4
Consensus LogP
0.57
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-4.39

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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