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CAS 868755-48-0 (6-pyrrolidin-1-ylpyrid-2-yl)methanol molecular structure lightbox
CAS RN: 868755-48-0

(6-pyrrolidin-1-ylpyrid-2-yl)methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS868755-48-0
  • Purity/Analytical Methods: >99.0%
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868755-48-0 / (6-pyrrolidin-1-yl-2-pyridinyl)methanol

Standard CAS: 868755-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868755-48-0
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
InChIKey
INCLVFBQYYTJLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.61
TPSA
36.36

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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