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CAS 56879-46-0 homoproline molecular structure lightbox
CAS RN: 56879-46-0

homoproline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56879-46-0
  • Purity/Analytical Methods: >99.0%
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56879-46-0 / 2-pyrrolidin-2-ylacetic acid

Standard CAS: 56879-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56879-46-0
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)
InChIKey
ADSALMJPJUKESW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.28
TPSA
49.33

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-2.4
Consensus LogP
-0.67
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-3.36

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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