CAS RN: 1173110-86-5
(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE-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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1173110-86-5
- Purity/Analytical Methods: >99.0%
1173110-86-5 / (1S)-3-methyl-1-phenylbutan-1-amine
(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE | MFCD06762328 | (S)-3-METHYL-1-PHENYLBUTAN-1-AMINE-HCl
Basic Information
CAS
1173110-86-5
Multi CAS
Yes
Molecular Formula
C11H17N
Molecular Weight
163.260000
Exact Mass
163.136100
SMILES
CC(C)C[C@@H](C1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m0/s1
InChIKey
ZTLDKBMTEANJRD-NSHDSACASA-N
Synonyms
(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE
MFCD06762328
(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE-HCl
SCHEMBL13995085
AKOS006292106
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.83
TPSA
26.02
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
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)
-1.78
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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