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CAS 1204324-20-8 (2R,5R)-1-{[(2R,5R)-2,5-Diethylpyrrolidin-1-yl]methylene}-2,5-diethylpyrrolidinium tetrafluoroborate, min. 97% molecular structure lightbox
CAS RN: 1204324-20-8

(2R,5R)-1-{[(2R,5R)-2,5-Diethylpyrrolidin-1-yl]methylene}-2,5-diethylpyrrolidinium tetrafluoroborate, min. 97%

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 100mg Out of stock Inquiry
Batchno.20260102 50mg Out of stock 5-7 business days Inquiry
Batchno.20251122 50mg Out of stock Inquiry
  • Product code: SSC-021422
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1204324-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1204324-20-8 / (2R,5R)-1-[[(2R,5R)-2,5-diethylpyrrolidin-1-ium-1-ylidene]methyl]-2,5-diethylpyrrolidine

MFCD17013975 | (2R,5R)-1-{[(2R,5R)-2,5-DIETHYLPYRROLIDIN-1-YL]METHYLENE}-2,5-DIETHYLPYRROLIDINIUM TETRAFLUOROBORATE | (2R,5R)-1-[[(2R,5R)-2,5-diethylpyrrolidin-1-ium-1-ylidene]methyl]-2,5-diethylpyrrolidine;tetrafluoroborate

Standard CAS: 1204324-20-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204324-20-8
Multi CAS
Yes
Molecular Formula
C17H33N2+
Molecular Weight
265.500000
Exact Mass
265.264374
SMILES
CC[C@@H]1CC[C@H](N1C=[N+]2[C@@H](CC[C@H]2CC)CC)CC
InChI
InChI=1S/C17H33N2/c1-5-14-9-10-15(6-2)18(14)13-19-16(7-3)11-12-17(19)8-4/h13-17H,5-12H2,1-4H3/q+1/t14-,15-,16-,17-/m1/s1
InChIKey
KVXUYDYDLUMXIL-QBPKDAKJSA-N
Synonyms
MFCD17013975 (2R,5R)-1-{[(2R,5R)-2,5-DIETHYLPYRROLIDIN-1-YL]METHYLENE}-2,5-DIETHYLPYRROLIDINIUM TETRAFLUOROBORATE (2R,5R)-1-[[(2R,5R)-2,5-diethylpyrrolidin-1-ium-1-ylidene]methyl]-2,5-diethylpyrrolidine;tetrafluoroborate C17H33BF4N2 (2R,5R)-1-(((2R,5R)-2,5-Diethylpyrrolidin-1-yl)methylene)-2,5-diethylpyrrolidin-1-ium tetrafluoroborate

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
5
Molar refractivity
82.95
TPSA
6.25

LogP / Solubility

WLOGP
4.03
MLOGP
3.56
XLogP3
4.2
Consensus LogP
3.93
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

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
3.5

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