CAS RN: 2411591-66-5
(R)-1-(3,5-dichlorophenyl)ethan-1-amineHydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2411591-66-5
- Purity/Analytical Methods: >99.0%
2411591-66-5 / 1-(3,5-dichlorophenyl)ethanamine;hydrochloride
Basic Information
CAS
2411591-66-5
Multi CAS
No
Molecular Formula
C8H10Cl3N
Molecular Weight
226.500000
Exact Mass
224.987882
SMILES
CC(C1=CC(=CC(=C1)Cl)Cl)N.Cl
InChI
InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKey
YKPAICVWOBWQTG-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.31
TPSA
26.02
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.66
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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