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CAS 848186-84-5 4-Isoxazolecarboxylicacid,3-[1,1-biphenyl]-2-yl-5-methyl-,ethylester(9CI) molecular structure lightbox
CAS RN: 848186-84-5

4-Isoxazolecarboxylicacid,3-[1,1-biphenyl]-2-yl-5-methyl-,ethylester(9CI)

  • Product code: SSC-192463
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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 848186-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

848186-84-5 / ethyl 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylate

Standard CAS: 848186-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848186-84-5
Multi CAS
No
Molecular Formula
C19H17NO3
Molecular Weight
307.300000
Exact Mass
307.120843
InChI
InChI=1S/C19H17NO3/c1-3-22-19(21)17-13(2)23-20-18(17)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKey
KIWVUACTQXOYRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
88.07
TPSA
52.33

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4.3
Consensus LogP
4.25
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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
No
Log Kp (skin permeation)
-1.4

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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