CAS RN: 1213343-02-2
(R)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethan-1-ol
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.20260620 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213343-02-2
- Purity/Analytical Methods: >99.0%
1213343-02-2 / (2R)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethanol
2-amino-2-(3-fluoro-5-methoxyphenyl)ethan-1-ol | SCHEMBL18765750 | AKOS006321974
Basic Information
CAS
1213343-02-2
Multi CAS
Yes
Molecular Formula
C9H12FNO2
Molecular Weight
185.200000
Exact Mass
185.085207
SMILES
COC1=CC(=CC(=C1)[C@H](CO)N)F
InChI
InChI=1S/C9H12FNO2/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKey
NAZAQFAQNOECEK-VIFPVBQESA-N
Synonyms
2-amino-2-(3-fluoro-5-methoxyphenyl)ethan-1-ol
SCHEMBL18765750
AKOS006321974
2-amino-2-(3-fluoro-5-methoxy-phenyl)ethanol
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.97
TPSA
55.48
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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