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CAS 297143-31-8 2-Azabicyclo[2.2.1]heptane-3-carboxylicacid,methylester,(1S,3R,4R)-(9CI) molecular structure lightbox
CAS RN: 297143-31-8

2-Azabicyclo[2.2.1]heptane-3-carboxylicacid,methylester,(1S,3R,4R)-(9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250114 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS297143-31-8
  • Purity/Analytical Methods: >99.0%
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297143-31-8 / methyl 2-azabicyclo[2.2.1]heptane-3-carboxylate

Standard CAS: 297143-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
297143-31-8
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-3-6(4-5)9-7/h5-7,9H,2-4H2,1H3
InChIKey
HPVCCAYXVXMOOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.07
TPSA
38.33

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.7
Consensus LogP
0.42
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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