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CAS 1788873-54-0 3H-Pyrrolizin-3-one, hexahydro-7a-(hydroxymethyl)- molecular structure lightbox
CAS RN: 1788873-54-0

3H-Pyrrolizin-3-one, hexahydro-7a-(hydroxymethyl)-

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 500mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 100mg Out of stock Inquiry
Batchno.20250225 250mg Out of stock Inquiry
  • Product code: starshine_CAS1788873-54-0
  • Purity/Analytical Methods: >99.0%
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1788873-54-0 / 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

Standard CAS: 1788873-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788873-54-0
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
C1CC2(CCC(=O)N2C1)CO
InChI
InChI=1S/C8H13NO2/c10-6-8-3-1-5-9(8)7(11)2-4-8/h10H,1-6H2
InChIKey
BVABYDGUFSXLTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40
TPSA
40.54

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.5
Consensus LogP
-0.09
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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