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CAS 162713-19-1 Benzoxazole, 2,2′-(1-methylethylidene)bis- molecular structure lightbox
CAS RN: 162713-19-1

Benzoxazole, 2,2′-(1-methylethylidene)bis-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS162713-19-1
  • Purity/Analytical Methods: >99.0%
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162713-19-1 / 2-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-1,3-benzoxazole

Standard CAS: 162713-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162713-19-1
Multi CAS
No
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
SMILES
CC(C)(C1=NC2=CC=CC=C2O1)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C17H14N2O2/c1-17(2,15-18-11-7-3-5-9-13(11)20-15)16-19-12-8-4-6-10-14(12)21-16/h3-10H,1-2H3
InChIKey
OBDBNEARVSGYHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.15
TPSA
52.06

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.5
Consensus LogP
4.19
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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