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CAS 529-18-0 8-Methyl-8-azabicyclo[3.2.1]oct-2-ene molecular structure lightbox
CAS RN: 529-18-0

8-Methyl-8-azabicyclo[3.2.1]oct-2-ene

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 25mg / 100mg / 250mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS529-18-0
  • Purity/Analytical Methods: >99.0%
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529-18-0 / 8-methyl-8-azabicyclo[3.2.1]oct-2-ene

Standard CAS: 529-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
529-18-0
Multi CAS
No
Molecular Formula
C8H13N
Molecular Weight
123.200000
Exact Mass
123.104799
InChI
InChI=1S/C8H13N/c1-9-7-3-2-4-8(9)6-5-7/h2-3,7-8H,4-6H2,1H3
InChIKey
RNHFKJBXKFGPIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
H-bond acceptors
1
Molar refractivity
38.33
TPSA
3.24

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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