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CAS 1268137-13-8 7-bromo-2-phenyl-Benzoxazole molecular structure lightbox
CAS RN: 1268137-13-8

7-bromo-2-phenyl-Benzoxazole

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250112 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250901 1g Out of stock 8-10 business days Inquiry
Batchno.20250906 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250911 25g In stock Shanghai Inquiry
Batchno.20250225 5g In stock Shanghai Inquiry
  • Product code: SSC-034022
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1268137-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

1268137-13-8 / 7-bromo-2-phenyl-1,3-benzoxazole

Standard CAS: 1268137-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268137-13-8
Multi CAS
No
Molecular Formula
C13H8BrNO
Molecular Weight
274.110000
Exact Mass
272.978930
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C(=CC=C3)Br
InChI
InChI=1S/C13H8BrNO/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H
InChIKey
NLBSIKDIYFCCQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.15
TPSA
26.03

LogP / Solubility

WLOGP
4.26
MLOGP
3.76
XLogP3
4.1
Consensus LogP
4.04
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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