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CAS 78449-75-9 1H-Pyrrolizine-7a(5H)-acetonitrile,tetrahydro-(9CI) molecular structure lightbox
CAS RN: 78449-75-9

1H-Pyrrolizine-7a(5H)-acetonitrile,tetrahydro-(9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-187860
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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: 5g
  • 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 78449-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

78449-75-9 / 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile

Standard CAS: 78449-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78449-75-9
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
InChI
InChI=1S/C9H14N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-5,7-8H2
InChIKey
LXVPEYNDHDKFQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43
TPSA
27.03

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
0.8
Consensus LogP
1.22
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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