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CAS 68295-48-7 tetrahydro-1H-Pyrrolizine-7a(5H)-carbonitrile molecular structure lightbox
CAS RN: 68295-48-7

tetrahydro-1H-Pyrrolizine-7a(5H)-carbonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68295-48-7
  • Purity/Analytical Methods: >99.0%
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68295-48-7 / 1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

Standard CAS: 68295-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68295-48-7
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-6H2
InChIKey
DZPUBMXGEQJERB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
38.39
TPSA
27.03

LogP / Solubility

WLOGP
1.14
MLOGP
0.99
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.74

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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