CAS RN: 1229244-88-5
(S)-6-methoxy-2-aminotetralin hydrochloride
- Product code: SSC-026626
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1229244-88-5 / (2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Basic Information
CAS
1229244-88-5
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
COC1=CC2=C(C[C@H](CC2)N)C=C1.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h3,5,7,10H,2,4,6,12H2,1H3;1H/t10-;/m0./s1
InChIKey
VANKCRQVOCWUPP-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.24
TPSA
35.25
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.93
Consensus LogP
1.85
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.65
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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