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CAS 2044711-31-9 (R)-1-(Oxazol-2-yl)-2-phenylethanamine hydrochloride molecular structure lightbox
CAS RN: 2044711-31-9

(R)-1-(Oxazol-2-yl)-2-phenylethanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2044711-31-9
  • Purity/Analytical Methods: >99.0%
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2044711-31-9 / (1R)-1-(1,3-oxazol-2-yl)-2-phenylethanamine;hydrochloride

Standard CAS: 2044711-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044711-31-9
Multi CAS
No
Molecular Formula
C11H13ClN2O
Molecular Weight
224.680000
Exact Mass
224.071641
SMILES
C1=CC=C(C=C1)C[C@H](C2=NC=CO2)N.Cl
InChI
InChI=1S/C11H12N2O.ClH/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9;/h1-7,10H,8,12H2;1H/t10-;/m1./s1
InChIKey
SUUSYAGZJGAVJD-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.83
TPSA
52.05

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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