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CAS 10488-87-6 Ethyl 2-Benzoylpropionate molecular structure lightbox
CAS RN: 10488-87-6

Ethyl 2-Benzoylpropionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-006603
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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: 5g
  • 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 10488-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

10488-87-6 / ethyl 2-methyl-3-oxo-3-phenylpropanoate

Propionic acid, 2-benzoyl-, ethyl ester | RefChem:1096958 | ethyl 2-methyl-3-oxo-3-phenylpropanoate

Standard CAS: 10488-87-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10488-87-6
Multi CAS
Yes
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
CCOC(=O)C(C)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H14O3/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
RAWGHPXIJSCHFZ-UHFFFAOYSA-N
Synonyms
Propionic acid, 2-benzoyl-, ethyl ester RefChem:1096958 ethyl 2-methyl-3-oxo-3-phenylpropanoate 2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester MFCD00026882

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
56.57
TPSA
43.37

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.6
Consensus LogP
2.16
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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