CAS RN: 1391564-88-7
(S)-2-AMino-2-(2,4-dichlorophenyl)ethanol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391564-88-7
- Purity/Analytical Methods: >99.0%
1391564-88-7 / (2S)-2-amino-2-(2,4-dichlorophenyl)ethanol;hydrochloride
Basic Information
CAS
1391564-88-7
Multi CAS
No
Molecular Formula
C8H10Cl3NO
Molecular Weight
242.500000
Exact Mass
240.982797
SMILES
C1=CC(=C(C=C1Cl)Cl)[C@@H](CO)N.Cl
InChI
InChI=1S/C8H9Cl2NO.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKey
IGQRPXLLVWMSEH-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.72
TPSA
46.25
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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