![CAS 2230840-55-6 (1R)-1-[3-(DIFLUOROMETHYL)PHENYL]ETHYLAMINE HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230840-55-6.gif)
CAS RN: 2230840-55-6
(1R)-1-[3-(DIFLUOROMETHYL)PHENYL]ETHYLAMINE 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.20260323 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-108700
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2230840-55-6 / (1R)-1-[3-(difluoromethyl)phenyl]ethanamine;hydrochloride
Basic Information
CAS
2230840-55-6
Multi CAS
No
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
C[C@H](C1=CC(=CC=C1)C(F)F)N.Cl
InChI
InChI=1S/C9H11F2N.ClH/c1-6(12)7-3-2-4-8(5-7)9(10)11;/h2-6,9H,12H2,1H3;1H/t6-;/m1./s1
InChIKey
QHSSVBUAVWTJQV-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.25
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-1.81
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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![CAS 2230840-58-9 (1R)-1-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230840-58-9.gif)
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