CAS RN: 93963-24-7
2-Ethylamino-1-(4-methoxyphenyl)propane Hydrochloride
- Product code: SSC-208454
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
93963-24-7 / N-ethyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride
Basic Information
CAS
93963-24-7
Multi CAS
Yes
Molecular Formula
C12H20CLNO
Molecular Weight
229.740000
Exact Mass
229.123342
InChI
InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
InChIKey
KWQLOEWGKCQLPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.08
TPSA
21.26
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.66
Consensus LogP
2.55
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
