CAS RN: 14467-32-4
(S)-(+)-2-TERT-BUTYLAMINO-1-PHENYLETHAN&
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.20251017 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14467-32-4
- Purity/Analytical Methods: >99.0%
14467-32-4 / (1S)-2-(tert-butylamino)-1-phenylethanol
Basic Information
CAS
14467-32-4
Multi CAS
No
Molecular Formula
C12H19NO
Molecular Weight
193.280000
Exact Mass
193.146664
SMILES
CC(C)(C)NC[C@H](C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3/t11-/m1/s1
InChIKey
NRVOOKOHYKJCPB-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.16
TPSA
32.26
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.4
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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