CAS RN: 1212852-88-4
(S)-5-aMino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1212852-88-4
- Purity/Analytical Methods: >99.0%
1212852-88-4 / (5S)-5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile | 1-Amino-6-cyano-1,2,3,4-tetrahydronaphthylene | (1R)-1-AMINOTETRALIN-6-CARBONITRILE
Basic Information
CAS
1212852-88-4
Multi CAS
Yes
Molecular Formula
C11H12N2
Molecular Weight
172.230000
Exact Mass
172.100048
SMILES
C1C[C@@H](C2=C(C1)C=C(C=C2)C#N)N
InChI
InChI=1S/C11H12N2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h4-6,11H,1-3,13H2/t11-/m0/s1
InChIKey
IGJCZZMPAPFDGB-NSHDSACASA-N
Synonyms
5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
1-Amino-6-cyano-1,2,3,4-tetrahydronaphthylene
(1R)-1-AMINOTETRALIN-6-CARBONITRILE
1-aminotetralin-6-carbonitrile
SCHEMBL4142891
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.02
TPSA
49.81
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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