CAS RN: 344794-57-6
(S)-1-(p-Tolyl)butan-1-aMine hydrochloride
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.20250302 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS344794-57-6
- Purity/Analytical Methods: >99.0%
344794-57-6 / (1S)-1-(4-methylphenyl)butan-1-amine;hydrochloride
Basic Information
CAS
344794-57-6
Multi CAS
Yes
Molecular Formula
C11H18CLN
Molecular Weight
199.720000
Exact Mass
199.112777
InChI
InChI=1S/C11H17N/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8,11H,3-4,12H2,1-2H3/t11-/m0/s1
InChIKey
KONSGDUJYXXYMT-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.26
TPSA
26.02
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.65
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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