![CAS 2045362-22-7 (1S)-1-[4-(DIFLUOROMETHOXY)PHENYL]ETHAN-1-AMINE HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2045362-22-7.png)
CAS RN: 2045362-22-7
(1S)-1-[4-(DIFLUOROMETHOXY)PHENYL]ETHAN-1-AMINE HCl
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.20250930 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2045362-22-7
- Purity/Analytical Methods: >99.0%
2045362-22-7 / (1S)-1-[4-(difluoromethoxy)phenyl]ethanamine;hydrochloride
Basic Information
CAS
2045362-22-7
Multi CAS
No
Molecular Formula
C9H12ClF2NO
Molecular Weight
223.650000
Exact Mass
223.057548
SMILES
C[C@@H](C1=CC=C(C=C1)OC(F)F)N.Cl
InChI
InChI=1S/C9H11F2NO.ClH/c1-6(12)7-2-4-8(5-3-7)13-9(10)11;/h2-6,9H,12H2,1H3;1H/t6-;/m0./s1
InChIKey
BWXKCZGSVZCVQK-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.92
TPSA
35.25
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.15
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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