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CAS 1367920-70-4 (2-Phenylbenzo[d]oxazol-6-yl)methanamine molecular structure lightbox
CAS RN: 1367920-70-4

(2-Phenylbenzo[d]oxazol-6-yl)methanamine

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100mg / 250mg Out of stock 15 business days Inquiry
Batchno.20250615 250mg Out of stock Inquiry
  • Product code: starshine_CAS1367920-70-4
  • Purity/Analytical Methods: >99.0%
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1367920-70-4 / (2-phenyl-1,3-benzoxazol-6-yl)methanamine

Standard CAS: 1367920-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1367920-70-4
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CN
InChI
InChI=1S/C14H12N2O/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKey
IDWBCOMFDZWQEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.34
TPSA
52.05

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.3
Consensus LogP
2.62
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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