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CAS 544704-75-8 7-broMo-2-(3-fluoro-4-Methoxyphenyl)-5-Methoxy-1,3-benzoxazole molecular structure lightbox
CAS RN: 544704-75-8

7-broMo-2-(3-fluoro-4-Methoxyphenyl)-5-Methoxy-1,3-benzoxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-162176
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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: 1g
  • 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 544704-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

544704-75-8 / 7-bromo-2-(3-fluoro-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole

Standard CAS: 544704-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
544704-75-8
Multi CAS
No
Molecular Formula
BC15H11NO3Rf
Molecular Weight
352.150000
Exact Mass
350.990630
InChI
InChI=1S/C15H11BrFNO3/c1-19-9-6-10(16)14-12(7-9)18-15(21-14)8-3-4-13(20-2)11(17)5-8/h3-7H,1-2H3
InChIKey
PZQOAJQYQBQTMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
80.21
TPSA
44.49

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.2
Consensus LogP
4.17
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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