Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 100g, 1g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 1 In Stock | Beijing | Inquiry |
201864-00-8 / (2S)-2-amino-3-(4-chlorophenyl)propan-1-ol
Basic Information
CAS
201864-00-8
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
C1=CC(=CC=C1C[C@@H](CO)N)Cl
InChI
InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1
InChIKey
RPHQMRWKOPBZQY-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.22
TPSA
46.25
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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