CAS RN: 856562-88-4
(R)-1-O-TOLYLETHANAMINE-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.20251108 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-194151
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 | Hong Kong | Inquiry |
856562-88-4 / (1R)-1-(2-methylphenyl)ethanamine;hydrochloride
Basic Information
CAS
856562-88-4
Multi CAS
Yes
Molecular Formula
C9H14CLN
Molecular Weight
171.670000
Exact Mass
171.081477
InChI
InChI=1S/C9H13N.ClH/c1-7-5-3-4-6-9(7)8(2)10;/h3-6,8H,10H2,1-2H3;1H/t8-;/m1./s1
InChIKey
VNGAKUOLRVQVHG-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.03
TPSA
26.02
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.44
Consensus LogP
2.34
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.04
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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