CAS RN: 1311317-35-7
2-AMINO-2-(2,6-DIFLUOROPHENYL)ETHAN-1-OL 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.20260315 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1311317-35-7
- Purity/Analytical Methods: >99.0%
1311317-35-7 / 2-amino-2-(2,6-difluorophenyl)ethanol;hydrochloride
Basic Information
CAS
1311317-35-7
Multi CAS
No
Molecular Formula
C8H10ClF2NO
Molecular Weight
209.620000
Exact Mass
209.041898
SMILES
C1=CC(=C(C(=C1)F)C(CO)N)F.Cl
InChI
InChI=1S/C8H9F2NO.ClH/c9-5-2-1-3-6(10)8(5)7(11)4-12;/h1-3,7,12H,4,11H2;1H
InChIKey
MFSSAKCSXPXIQU-UHFFFAOYSA-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
47.62
TPSA
46.25
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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