CAS RN: 2177257-85-9
2-((1R)-1-AMINO-2-HYDROXYETHYL)-5-FLUOROPHENOL 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.20250717 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2177257-85-9
- Purity/Analytical Methods: >99.0%
2177257-85-9 / 2-[(1R)-1-amino-2-hydroxyethyl]-5-fluorophenol;hydrochloride
Basic Information
CAS
2177257-85-9
Multi CAS
No
Molecular Formula
C8H11ClFNO2
Molecular Weight
207.630000
Exact Mass
207.046234
SMILES
C1=CC(=C(C=C1F)O)[C@H](CO)N.Cl
InChI
InChI=1S/C8H10FNO2.ClH/c9-5-1-2-6(7(10)4-11)8(12)3-5;/h1-3,7,11-12H,4,10H2;1H/t7-;/m0./s1
InChIKey
DPQZVOINFPLYHQ-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.33
TPSA
66.48
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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