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CAS 315693-84-6 Methyl 4-[(dimethyl-1,2-oxazol-4-yl)methoxy]benzoate molecular structure lightbox
CAS RN: 315693-84-6

Methyl 4-[(dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

  • Product code: SSC-136970
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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 315693-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

315693-84-6 / methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Standard CAS: 315693-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
315693-84-6
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
InChI
InChI=1S/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-12-6-4-11(5-7-12)14(16)17-3/h4-7H,8H2,1-3H3
InChIKey
UFJRNXGJFJJDFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
68.09
TPSA
61.56

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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