CAS RN: 1374669-67-6
(S)-3-AMINO-3-(4-AMINOPHENYL)PROPAN-1-OL 2HCL
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.20250830 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1374669-67-6
- Purity/Analytical Methods: >99.0%
1374669-67-6 / (3S)-3-amino-3-(4-aminophenyl)propan-1-ol;dihydrochloride
Basic Information
CAS
1374669-67-6
Multi CAS
No
Molecular Formula
C9H16Cl2N2O
Molecular Weight
239.140000
Exact Mass
238.063969
SMILES
C1=CC(=CC=C1[C@H](CCO)N)N.Cl.Cl
InChI
InChI=1S/C9H14N2O.2ClH/c10-8-3-1-7(2-4-8)9(11)5-6-12;;/h1-4,9,12H,5-6,10-11H2;2*1H/t9-;;/m0../s1
InChIKey
CEIVJARVHKLYPG-WWPIYYJJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
63.98
TPSA
72.27
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.12
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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