CAS RN: 1391431-90-5
BenzeneMethanaMine, α-ethyl-2,5-difluoro-, hydrochloride (1:1), (αS)-
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.20251012 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-049466
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1391431-90-5 / (1S)-1-(2,5-difluorophenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1391431-90-5
Multi CAS
No
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
CC[C@@H](C1=C(C=CC(=C1)F)F)N.Cl
InChI
InChI=1S/C9H11F2N.ClH/c1-2-9(12)7-5-6(10)3-4-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m0./s1
InChIKey
RXYPROYXZWFRHT-FVGYRXGTSA-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
50.83
TPSA
26.02
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
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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