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CAS 115580-69-3 2,2′-(2-Bromo-1,4-phenylene)bis(4,4-dimethyl-4,5-dihydrooxazole) molecular structure lightbox
CAS RN: 115580-69-3

2,2′-(2-Bromo-1,4-phenylene)bis(4,4-dimethyl-4,5-dihydrooxazole)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-015333
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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: ≥95%
  • 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 115580-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

115580-69-3 / 2-[2-bromo-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2,2'-(2-bromo-1,4-phenylene)bis(4,4-dimethyl-4,5-dihydrooxazole) | 2-[2-bromo-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole | SCHEMBL14743510

Standard CAS: 115580-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115580-69-3
Multi CAS
No
Molecular Formula
C16H19BrN2O2
Molecular Weight
351.240000
Exact Mass
350.062990
SMILES
CC1(COC(=N1)C2=CC(=C(C=C2)C3=NC(CO3)(C)C)Br)C
InChI
InChI=1S/C16H19BrN2O2/c1-15(2)8-20-13(18-15)10-5-6-11(12(17)7-10)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3
InChIKey
YEHBYJVCWCBGNF-UHFFFAOYSA-N
Synonyms
2,2'-(2-bromo-1,4-phenylene)bis(4,4-dimethyl-4,5-dihydrooxazole) 2-[2-bromo-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole SCHEMBL14743510 WS-00160 E74091

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
87.28
TPSA
43.18

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
2.9
Consensus LogP
3.2
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

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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