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CAS 94794-30-6 pyrrolizidine-7α-acetic acid molecular structure lightbox
CAS RN: 94794-30-6

pyrrolizidine-7α-acetic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS94794-30-6
  • Purity/Analytical Methods: >99.0%
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94794-30-6 / 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid

Standard CAS: 94794-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94794-30-6
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
InChI
InChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12)
InChIKey
VNCIGXSNWMPXKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.02
TPSA
40.54

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
-1.7
Consensus LogP
0.12
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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