[email protected]
CAS 103604-53-1 3′ 5′-DIETHOXYACETOPHENONE 99 molecular structure lightbox
CAS RN: 103604-53-1

3′ 5′-DIETHOXYACETOPHENONE 99

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 1g In stock Inquiry
Batchno.20250811 25g Out of stock Inquiry
Batchno.20260425 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005173
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 103604-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

103604-53-1 / 1-(3,5-diethoxyphenyl)ethanone

1-(3,5-diethoxyphenyl)ethanone | 3',5'-Diethoxyacetophenone | 3,5-Diethoxyacetophenone

Standard CAS: 103604-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103604-53-1
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
CCOC1=CC(=CC(=C1)C(=O)C)OCC
InChI
InChI=1S/C12H16O3/c1-4-14-11-6-10(9(3)13)7-12(8-11)15-5-2/h6-8H,4-5H2,1-3H3
InChIKey
KEJDYKMTNWEIAR-UHFFFAOYSA-N
Synonyms
1-(3,5-diethoxyphenyl)ethanone 3',5'-Diethoxyacetophenone 3,5-Diethoxyacetophenone 3' 5'-DIETHOXYACETOPHENONE 99 1-(3,5-diethoxyphenyl)ethan-1-one

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
58.78
TPSA
35.53

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.3
Consensus LogP
2.45
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.08

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us