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CAS 70526-06-6 (Z)-ethyl 3-(pyrrolidin-1-yl)but-2-enoate molecular structure lightbox
CAS RN: 70526-06-6

(Z)-ethyl 3-(pyrrolidin-1-yl)but-2-enoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70526-06-6
  • Purity/Analytical Methods: >99.0%
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70526-06-6 / ethyl 3-pyrrolidin-1-ylbut-2-enoate

Standard CAS: 70526-06-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70526-06-6
Multi CAS
Yes
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
InChI
InChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8-
InChIKey
MSOQKPXSIHLODG-HJWRWDBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.2
TPSA
29.54

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.7
Consensus LogP
1.54
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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