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CAS 21850-12-4 cis-Octahydro-isoindole molecular structure lightbox
CAS RN: 21850-12-4

cis-Octahydro-isoindole

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 100g In stock Shanghai Inquiry
Batchno.20250424 10g In stock Shanghai Inquiry
Batchno.20251217 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing Inquiry
Batchno.20250830 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250212 500g In stock Shanghai Inquiry
Batchno.20251226 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-105294
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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 21850-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

21850-12-4 / 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

Standard CAS: 21850-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21850-12-4
Multi CAS
No
Molecular Formula
C8H15N
Molecular Weight
125.210000
Exact Mass
125.120449
SMILES
C1CCC2CNCC2C1
InChI
InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2
InChIKey
ODSNARDHJFFSRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.32
TPSA
12.03

LogP / Solubility

WLOGP
1.4
MLOGP
1.22
XLogP3
1.7
Consensus LogP
1.44
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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