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CAS 338982-35-7 Ethyl 2-chloro-a,g-dioxo-benzenebutanoate molecular structure lightbox
CAS RN: 338982-35-7

Ethyl 2-chloro-a,g-dioxo-benzenebutanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-140071
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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, 0.25g, 0.1g
  • 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 338982-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry

338982-35-7 / ethyl 4-(2-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate

Standard CAS: 338982-35-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
338982-35-7
Multi CAS
Yes
Molecular Formula
C12H11CLO4
Molecular Weight
254.660000
Exact Mass
254.034587
InChI
InChI=1S/C12H11ClO4/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKey
CYWSDZSLUSCKMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.7
TPSA
63.6

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
3.1
Consensus LogP
2.52
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.59

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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