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CAS 1212946-34-3 9-Phenanthreneethanol, β-amino-, (βR)- molecular structure lightbox
CAS RN: 1212946-34-3

9-Phenanthreneethanol, β-amino-, (βR)-

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5 package records0 with current stock1 grade group
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Batchno.20260515 100mg Out of stock Inquiry
Batchno.20250818 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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Batchno.20250715 50mg Out of stock Inquiry
  • Product code: starshine_CAS1212946-34-3
  • Purity/Analytical Methods: >99.0%
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1212946-34-3 / (2R)-2-amino-2-phenanthren-9-ylethanol

(R)-2-Amino-2-(phenanthren-9-yl)ethan-1-ol | (R)-2-Amino-2-(phenanthren-9-yl)ethanol | MFCD09253598

Standard CAS: 1212946-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212946-34-3
Multi CAS
Yes
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[C@H](CO)N
InChI
InChI=1S/C16H15NO/c17-16(10-18)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16,18H,10,17H2/t16-/m0/s1
InChIKey
BRIIWJQPHNXXJA-INIZCTEOSA-N
Synonyms
(R)-2-Amino-2-(phenanthren-9-yl)ethan-1-ol (R)-2-Amino-2-(phenanthren-9-yl)ethanol MFCD09253598 (2R)-2-AMINO-2-(9-PHENANTHRYL)ETHAN-1-OL AKOS015929386

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.47
TPSA
46.25

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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