CAS RN: 2504147-29-7
(R)-2-Amino-2-(4-fluoro-3-methoxyphenyl)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.20250817 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2504147-29-7
- Purity/Analytical Methods: >99.0%
2504147-29-7 / 2-amino-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
Basic Information
CAS
2504147-29-7
Multi CAS
No
Molecular Formula
C9H13ClFNO2
Molecular Weight
221.650000
Exact Mass
221.061885
SMILES
COC1=C(C=CC(=C1)C(CO)N)F.Cl
InChI
InChI=1S/C9H12FNO2.ClH/c1-13-9-4-6(8(11)5-12)2-3-7(9)10;/h2-4,8,12H,5,11H2,1H3;1H
InChIKey
ZJHXCOXQHPCSDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.21
TPSA
55.48
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.19
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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