CAS RN: 1379915-20-4
3-AMINO-3-(2-FLUORO-PHENYL)-PROPAN-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.20250713 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1379915-20-4
- Purity/Analytical Methods: >99.0%
1379915-20-4 / 3-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
Basic Information
CAS
1379915-20-4
Multi CAS
No
Molecular Formula
C9H13ClFNO
Molecular Weight
205.660000
Exact Mass
205.066970
SMILES
C1=CC=C(C(=C1)C(CCO)N)F.Cl
InChI
InChI=1S/C9H12FNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-12;/h1-4,9,12H,5-6,11H2;1H
InChIKey
PKUAQPDWVHLZMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.28
TPSA
46.25
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.63
Consensus LogP
1.56
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
-
[1-(2S,5S)-2,5-Dimethylphospholanyl]-[2-(2S,5S)-2,5-Dimethylphospholanyl-1-Oxide]Benzene
- CAS RN: 1380079-15-1
- Product Code: SSC-047967
-
2-[6-(4-Chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide
- CAS RN: 1380087-89-7
- Product Code: SSC-047969
![CAS 1380079-15-1 [1-(2S,5S)-2,5-Dimethylphospholanyl]-[2-(2S,5S)-2,5-Dimethylphospholanyl-1-Oxide]Benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380079-15-1.gif)
![CAS 1380087-89-7 2-[6-(4-Chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380087-89-7.gif)