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CAS 88330-32-9 3-EXO-AMINOBICYCLO[2.2.1]HEPTANE-2-EXO-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 88330-32-9

3-EXO-AMINOBICYCLO[2.2.1]HEPTANE-2-EXO-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88330-32-9
  • Purity/Analytical Methods: >99.0%
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88330-32-9 / 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid

Standard CAS: 88330-32-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88330-32-9
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11)
InChIKey
JSYLGUSANAWARQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.93
TPSA
63.32

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
-1.5
Consensus LogP
-0.22
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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