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CAS 14467-32-4 (S)-(+)-2-TERT-BUTYLAMINO-1-PHENYLETHAN& molecular structure lightbox
CAS RN: 14467-32-4

(S)-(+)-2-TERT-BUTYLAMINO-1-PHENYLETHAN&

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14467-32-4
  • Purity/Analytical Methods: >99.0%
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14467-32-4 / (1S)-2-(tert-butylamino)-1-phenylethanol

Standard CAS: 14467-32-4 Multi CAS: No
Basic Information Computed Properties

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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