[email protected]
CAS 1334160-87-0 (1S)-1-(pyrazin-2-yl)ethan-1-ol molecular structure lightbox
CAS RN: 1334160-87-0

(1S)-1-(pyrazin-2-yl)ethan-1-ol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1334160-87-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1334160-87-0 / (1S)-1-pyrazin-2-ylethanol

Standard CAS: 1334160-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334160-87-0
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C[C@@H](C1=NC=CN=C1)O
InChI
InChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-5,9H,1H3/t5-/m0/s1
InChIKey
LRQUNKQRPBWOQQ-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.67
TPSA
46.01

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
-0.7
Consensus LogP
0.1
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.1

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