CAS RN: 1269652-47-2
(2S)-2-AMINO-2-(3-CHLORO-4-FLUOROPHENYL)ETHAN-1-OL HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260105 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-034300
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | 95% | 0 Out of Stock | Hong Kong | Inquiry |
1269652-47-2 / (2S)-2-amino-2-(3-chloro-4-fluorophenyl)ethanol;hydrochloride
Basic Information
CAS
1269652-47-2
Multi CAS
No
Molecular Formula
C8H10Cl2FNO
Molecular Weight
226.070000
Exact Mass
225.012348
SMILES
C1=CC(=C(C=C1[C@@H](CO)N)Cl)F.Cl
InChI
InChI=1S/C8H9ClFNO.ClH/c9-6-3-5(8(11)4-12)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKey
HEMKHTRHHXHZEJ-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.67
TPSA
46.25
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.76
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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