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CAS 706-50-3 2-Pyrrolidinylium, 2-ethoxy-1-methyl-, tetrafluoroborate(1-) molecular structure lightbox
CAS RN: 706-50-3

2-Pyrrolidinylium, 2-ethoxy-1-methyl-, tetrafluoroborate(1-)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS706-50-3
  • Purity/Analytical Methods: >99.0%
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706-50-3 / 5-ethoxy-1-methyl-3,4-dihydro-2H-pyrrol-1-ium tetrafluoroborate

Standard CAS: 706-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
706-50-3
Multi CAS
No
Molecular Formula
BC7F4H14NO
Molecular Weight
215.000000
Exact Mass
215.110457
InChI
InChI=1S/C7H14NO.BF4/c1-3-9-7-5-4-6-8(7)2;2-1(3,4)5/h3-6H2,1-2H3;/q+1;-1
InChIKey
CVWFBJTUBUUWGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.1
TPSA
12.24

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.16
Consensus LogP
2.07
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.5

Drug-likeness / Medicinal Chemistry

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

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