CAS RN: 1391577-48-2
(1S)-1-(2,6-DICHLOROPHENYL)PROPYLAMINE HYDROCHLORIDE
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.20260313 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1391577-48-2
- Purity/Analytical Methods: >99.0%
1391577-48-2 / (1S)-1-(2,6-dichlorophenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1391577-48-2
Multi CAS
No
Molecular Formula
C9H12Cl3N
Molecular Weight
240.600000
Exact Mass
239.003532
SMILES
CC[C@@H](C1=C(C=CC=C1Cl)Cl)N.Cl
InChI
InChI=1S/C9H11Cl2N.ClH/c1-2-8(12)9-6(10)4-3-5-7(9)11;/h3-5,8H,2,12H2,1H3;1H/t8-;/m0./s1
InChIKey
RYFPZKXDFHRLEQ-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.93
TPSA
26.02
LogP / Solubility
WLOGP
3.83
MLOGP
3.37
XLogP3
3.83
Consensus LogP
3.68
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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