[email protected]
CAS 2126163-23-1 3-Amino-3-(thiazol-5-yl)propan-1-ol dihydrochloride molecular structure lightbox
CAS RN: 2126163-23-1

3-Amino-3-(thiazol-5-yl)propan-1-ol dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2126163-23-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2126163-23-1 / 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride

Standard CAS: 2126163-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2126163-23-1
Multi CAS
No
Molecular Formula
C6H12Cl2N2OS
Molecular Weight
231.140000
Exact Mass
230.004740
SMILES
C1=C(SC=N1)C(CCO)N.Cl.Cl
InChI
InChI=1S/C6H10N2OS.2ClH/c7-5(1-2-9)6-3-8-4-10-6;;/h3-5,9H,1-2,7H2;2*1H
InChIKey
PHPVFTZWJIHURT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.24
TPSA
59.14

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us