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CAS 1359656-04-4 2-methoxy-5-(pyrrolidin-3-yl)pyridine hydrochloride(WXC07745) molecular structure lightbox
CAS RN: 1359656-04-4

2-methoxy-5-(pyrrolidin-3-yl)pyridine hydrochloride(WXC07745)

  • Product code: SSC-044532
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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: ≥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 1359656-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1359656-04-4 / 2-methoxy-5-pyrrolidin-3-ylpyridine;hydrochloride

Standard CAS: 1359656-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1359656-04-4
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
COC1=NC=C(C=C1)C2CCNC2.Cl
InChI
InChI=1S/C10H14N2O.ClH/c1-13-10-3-2-8(7-12-10)9-4-5-11-6-9;/h2-3,7,9,11H,4-6H2,1H3;1H
InChIKey
GKPLQWDJIHWQKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.26
TPSA
34.15

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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