[email protected]
CAS 1391588-79-6 (R)-2-aMino-2-(pyridin-3-yl)ethanol hydrochloride molecular structure lightbox
CAS RN: 1391588-79-6

(R)-2-aMino-2-(pyridin-3-yl)ethanol hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1391588-79-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1391588-79-6 / (2R)-2-amino-2-pyridin-3-ylethanol;hydrochloride

Standard CAS: 1391588-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391588-79-6
Multi CAS
No
Molecular Formula
C7H11ClN2O
Molecular Weight
174.630000
Exact Mass
174.055991
SMILES
C1=CC(=CN=C1)[C@H](CO)N.Cl
InChI
InChI=1S/C7H10N2O.ClH/c8-7(5-10)6-2-1-3-9-4-6;/h1-4,7,10H,5,8H2;1H/t7-;/m0./s1
InChIKey
YFHAPDPDCSTMJL-FJXQXJEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.5
TPSA
59.14

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.43

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