CAS RN: 2411591-03-0
(S)-1-(6-chloropyridin-3-yl)ethan-1-aminedihydrochloride
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.20260123 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411591-03-0
- Purity/Analytical Methods: >99.0%
2411591-03-0 / (1S)-1-(6-chloro-3-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
2411591-03-0
Multi CAS
No
Molecular Formula
C7H11Cl3N2
Molecular Weight
229.500000
Exact Mass
227.998781
SMILES
C[C@@H](C1=CN=C(C=C1)Cl)N.Cl.Cl
InChI
InChI=1S/C7H9ClN2.2ClH/c1-5(9)6-2-3-7(8)10-4-6;;/h2-5H,9H2,1H3;2*1H/t5-;;/m0../s1
InChIKey
LNWIEMNNGWWHTM-XRIGFGBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.35
TPSA
38.91
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.28
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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