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CAS 1393546-65-0 Octahydro-1H-pyrrolo[3,2-b]pyridine molecular structure lightbox
CAS RN: 1393546-65-0

Octahydro-1H-pyrrolo[3,2-b]pyridine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 100mg In stock Shanghai Inquiry
Batchno.20250322 1g Out of stock 5-7 business days Inquiry
Batchno.20260108 1g In stock Shanghai Inquiry
Batchno.20250320 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1393546-65-0
  • Purity/Analytical Methods: >99.0%
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1393546-65-0 / 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine

Standard CAS: 1393546-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393546-65-0
Multi CAS
No
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
SMILES
C1CC2C(CCN2)NC1
InChI
InChI=1S/C7H14N2/c1-2-6-7(8-4-1)3-5-9-6/h6-9H,1-5H2
InChIKey
IJVGODUTGYOVKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.43
TPSA
24.06

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.09
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.42

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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