CAS RN: 2102412-81-5
1-((4-methoxyphenethyl)amino)propan-2-ol hydrochloride(WXC06448)
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.20250106 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102412-81-5
- Purity/Analytical Methods: >99.0%
2102412-81-5 / 1-[2-(4-methoxyphenyl)ethylamino]propan-2-ol;hydrochloride
Basic Information
CAS
2102412-81-5
Multi CAS
No
Molecular Formula
C12H20ClNO2
Molecular Weight
245.740000
Exact Mass
245.118257
SMILES
CC(CNCCC1=CC=C(C=C1)OC)O.Cl
InChI
InChI=1S/C12H19NO2.ClH/c1-10(14)9-13-8-7-11-3-5-12(15-2)6-4-11;/h3-6,10,13-14H,7-9H2,1-2H3;1H
InChIKey
CZCJROGRQJGVEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.5
TPSA
41.49
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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