[email protected]
CAS 212117-14-1 4-Pyridinemethanol,alpha-ethyl-,(alphaR)-(9CI) molecular structure lightbox
CAS RN: 212117-14-1

4-Pyridinemethanol,alpha-ethyl-,(alphaR)-(9CI)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS212117-14-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

212117-14-1 / (1R)-1-pyridin-4-ylpropan-1-ol

Standard CAS: 212117-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212117-14-1
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
CC[C@H](C1=CC=NC=C1)O
InChI
InChI=1S/C8H11NO/c1-2-8(10)7-3-5-9-6-4-7/h3-6,8,10H,2H2,1H3/t8-/m1/s1
InChIKey
ZKMCKIAZUYILRN-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.49
TPSA
33.12

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us