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CAS 15952-20-2 6-chloro-2-phenylbenzo[d]oxazole molecular structure lightbox
CAS RN: 15952-20-2

6-chloro-2-phenylbenzo[d]oxazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15952-20-2
  • Purity/Analytical Methods: >99.0%
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15952-20-2 / 6-chloro-2-phenyl-1,3-benzoxazole

Standard CAS: 15952-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15952-20-2
Multi CAS
No
Molecular Formula
C13H8ClNO
Molecular Weight
229.660000
Exact Mass
229.029442
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C13H8ClNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H
InChIKey
KAOOHHSDVVRTDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.46
TPSA
26.03

LogP / Solubility

WLOGP
4.15
MLOGP
3.65
XLogP3
4.1
Consensus LogP
3.97
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.18

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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