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CAS 27835-00-3 3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 27835-00-3

3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 10g In stock Inquiry
Batchno.20260324 1g In stock Inquiry
Batchno.20250804 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260113 250mg In stock Inquiry
Batchno.20250919 5g In stock Inquiry
  • Product code: SSC-128223
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27835-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

27835-00-3 / ethyl 3-(4-methylphenyl)-3-oxopropanoate

Standard CAS: 27835-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27835-00-3
Multi CAS
Yes
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
InChI
InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
GEQMJBPKCOZHMV-UHFFFAOYSA-N

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
56.76
TPSA
43.37

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
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)
-2.47

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
1.5

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