CAS RN: 1373232-18-8
(R)-6-Fluoro-1,2,3,4-tetrahydro-naphthalen-1-ylamine hydrochloride
- Product code: SSC-046804
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 |
1373232-18-8 / (1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Basic Information
CAS
1373232-18-8
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1C[C@H](C2=C(C1)C=C(C=C2)F)N.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H/t10-;/m1./s1
InChIKey
NERMSLPTMJQXPR-HNCPQSOCSA-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
53.51
TPSA
26.02
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.12
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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