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CAS 151213-42-2 (S,S)-2,8-Diazabicyclo[4,3,0]nonane molecular structure lightbox
CAS RN: 151213-42-2

(S,S)-2,8-Diazabicyclo[4,3,0]nonane

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250818 200mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 100g Out of stock 8-10 business days Inquiry
Batchno.20250518 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250508 25g In stock Shanghai, Shandong Inquiry
Batchno.20250219 5g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-061101
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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 151213-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

151213-42-2 / (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine

Standard CAS: 151213-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151213-42-2
Multi CAS
No
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
SMILES
C1C[C@@H]2CNC[C@@H]2NC1
InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1
InChIKey
KSCPLKVBWDOSAI-RQJHMYQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.38
TPSA
24.06

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
Consensus LogP
-0.03
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very 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)
-3.52

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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