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CAS 351370-98-4 2-BENZYL-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE molecular structure lightbox
CAS RN: 351370-98-4

2-BENZYL-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS351370-98-4
  • Purity/Analytical Methods: >99.0%
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351370-98-4 / 2-benzyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine

Standard CAS: 351370-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351370-98-4
Multi CAS
Yes
Molecular Formula
C14H20N2
Molecular Weight
216.320000
Exact Mass
216.162649
InChI
InChI=1S/C14H20N2/c1-2-4-12(5-3-1)9-16-10-13-6-7-15-8-14(13)11-16/h1-5,13-15H,6-11H2
InChIKey
VZMAYQMDXZLZFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.19
TPSA
15.27

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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