CAS 1213581-06-6 (2S)-2-AMINO-2-(2-ANTHRYL)ETHAN-1-OL molecular structure

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CAS RN: 1213581-06-6

(2S)-2-AMINO-2-(2-ANTHRYL)ETHAN-1-OL

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250503	100mg	Out of stock		Inquiry
Batchno.20250616	100mg / 250mg	Out of stock	5-7 business days	Inquiry
Batchno.20260213	1g	Out of stock		Inquiry
Batchno.20260607	250mg	Out of stock		Inquiry

Product code: starshine_CAS1213581-06-6
Purity/Analytical Methods: >99.0%

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1213581-06-6 / (2S)-2-amino-2-anthracen-2-ylethanol

(2S)-2-AMINO-2-(2-ANTHRYL)ETHAN-1-OL | MFCD11509942 | AKOS015929400

Standard CAS: 1213581-06-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

1213581-06-6

Multi CAS

Yes

Molecular Formula

C16H15NO

Molecular Weight

237.300000

Exact Mass

237.115364

SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)[C@@H](CO)N

InChI

InChI=1S/C16H15NO/c17-16(10-18)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-9,16,18H,10,17H2/t16-/m1/s1

InChIKey

IYXAWKPHWZYHDL-MRXNPFEDSA-N

Synonyms

(2S)-2-AMINO-2-(2-ANTHRYL)ETHAN-1-OL MFCD11509942 AKOS015929400 (2S)-2-amino-2-(2-anthryl)ethanol BS-45499

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

75.47

TPSA

46.25

LogP / Solubility

WLOGP

2.99

MLOGP

2.63

XLogP3

2.4

Consensus LogP

2.67

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

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.05

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

(2S)-2-AMINO-2-(2-ANTHRYL)ETHAN-1-OL

Product Availability

1213581-06-6 / (2S)-2-amino-2-anthracen-2-ylethanol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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