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CAS 1248092-98-9 2-AMINO-2-(3,5-DIMETHYLPHENYL)ETHAN-1-OL molecular structure lightbox
CAS RN: 1248092-98-9

2-AMINO-2-(3,5-DIMETHYLPHENYL)ETHAN-1-OL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1248092-98-9
  • Purity/Analytical Methods: >99.0%
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1248092-98-9 / 2-amino-2-(3,5-dimethylphenyl)ethanol

Standard CAS: 1248092-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248092-98-9
Multi CAS
No
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
CC1=CC(=CC(=C1)C(CO)N)C
InChI
InChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3
InChIKey
WZFVOURVLDLEGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.93
TPSA
46.25

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.81

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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