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CAS 50966-73-9 1-(2-methoxyethyl)-1H-pyrrole(WXC08487) molecular structure lightbox
CAS RN: 50966-73-9

1-(2-methoxyethyl)-1H-pyrrole(WXC08487)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS50966-73-9
  • Purity/Analytical Methods: >99.0%
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50966-73-9 / 1-(2-methoxyethyl)pyrrole

Standard CAS: 50966-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50966-73-9
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c1-9-7-6-8-4-2-3-5-8/h2-5H,6-7H2,1H3
InChIKey
GMNWRVUSDMVDFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
36.31
TPSA
14.16

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.4
Consensus LogP
0.84
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.68

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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