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CAS 692058-79-0 cis-3,4-dimethoxypyrrolidine hydrochloride molecular structure lightbox
CAS RN: 692058-79-0

cis-3,4-dimethoxypyrrolidine hydrochloride

  • Product code: SSC-178827
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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: 1g
  • Available purity: ＞97%
  • 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 692058-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

692058-79-0 / 3,4-dimethoxypyrrolidine;hydrochloride

Standard CAS: 692058-79-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
692058-79-0
Multi CAS
Yes
Molecular Formula
C6H14CLNO2
Molecular Weight
167.630000
Exact Mass
167.071306
InChI
InChI=1S/C6H13NO2.ClH/c1-8-5-3-7-4-6(5)9-2;/h5-7H,3-4H2,1-2H3;1H
InChIKey
XHADJZKQYPPMFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.71
TPSA
30.49

LogP / Solubility

WLOGP
0.04
MLOGP
0.03
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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