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CAS 683246-09-5 methyl (E)-4-(3-(tert-butoxy)-3-oxoprop-1-en-1-yl)benzoate molecular structure lightbox
CAS RN: 683246-09-5

methyl (E)-4-(3-(tert-butoxy)-3-oxoprop-1-en-1-yl)benzoate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 50mg / 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-178083
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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 683246-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

683246-09-5 / methyl 4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate

Standard CAS: 683246-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
683246-09-5
Multi CAS
No
Molecular Formula
C15H18O4
Molecular Weight
262.300000
Exact Mass
262.120509
InChI
InChI=1S/C15H18O4/c1-15(2,3)19-13(16)10-7-11-5-8-12(9-6-11)14(17)18-4/h5-10H,1-4H3/b10-7+
InChIKey
HWPZOAISWDSKJB-JXMROGBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
72.66
TPSA
52.6

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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