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CAS 70708-28-0 alpha-[2-(1-pyrrolidinyl)ethyl]-alpha-(p-tolyl)pyridine-2-methanol molecular structure lightbox
CAS RN: 70708-28-0

alpha-[2-(1-pyrrolidinyl)ethyl]-alpha-(p-tolyl)pyridine-2-methanol

  • Product code: SSC-180457
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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 70708-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

70708-28-0 / 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol

Standard CAS: 70708-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70708-28-0
Multi CAS
No
Molecular Formula
C19H24N2O
Molecular Weight
296.400000
Exact Mass
296.188863
InChI
InChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3
InChIKey
LOJXVYLBLFSBBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.71
TPSA
36.36

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
2.8
Consensus LogP
2.89
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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