CAS RN: 1213670-08-6
(1R)-1-(2-FLUORO-5-METHOXYPHENYL)ETHYLAMINE
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.20250520 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213670-08-6
- Purity/Analytical Methods: >99.0%
1213670-08-6 / (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine
Basic Information
CAS
1213670-08-6
Multi CAS
No
Molecular Formula
C9H12FNO
Molecular Weight
169.200000
Exact Mass
169.090292
SMILES
C[C@H](C1=C(C=CC(=C1)OC)F)N
InChI
InChI=1S/C9H12FNO/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKey
LZMCMJPOUFQZFR-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.55
TPSA
35.25
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.44
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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