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CAS 79831-76-8 CASTANOSPERMINE molecular structure lightbox
CAS RN: 79831-76-8

CASTANOSPERMINE

Product Availability

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10 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 250mg In stock Shanghai Inquiry
Batchno.20250826 50mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 100mg In stock Inquiry
Batchno.20260406 25mg In stock Inquiry
Batchno.20250129 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251001 1g Out of stock Inquiry
Batchno.20250207 250mg Out of stock Inquiry
Batchno.20250711 25mg Out of stock Inquiry
Batchno.20260407 50mg In stock Tianjin Inquiry
  • Product code: SSC-188883
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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: 0.1g
  • Available purity: ≥97%
  • 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 79831-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry

79831-76-8 / 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol

Standard CAS: 79831-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79831-76-8
Multi CAS
Yes
Molecular Formula
C8H15NO4
Molecular Weight
189.210000
Exact Mass
189.100108
InChI
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2
InChIKey
JDVVGAQPNNXQDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
44.01
TPSA
84.16

LogP / Solubility

WLOGP
-2.48
MLOGP
-2.19
XLogP3
-2.2
Consensus LogP
-2.29
Log S (ESOL)
0.55
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.17
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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