CAS RN: 2250241-96-2
(1S)-7-CHLORO-1,2,3,4-TETRAHYDRONAPHTHYLAMINE HCL
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.20251210 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2250241-96-2
- Purity/Analytical Methods: >99.0%
2250241-96-2 / (1S)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Basic Information
CAS
2250241-96-2
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1C[C@@H](C2=C(C1)C=CC(=C2)Cl)N.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-8-5-4-7-2-1-3-10(12)9(7)6-8;/h4-6,10H,1-3,12H2;1H/t10-;/m0./s1
InChIKey
QXILHQTXJHTACC-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.57
TPSA
26.02
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.85
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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