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CAS 28269-02-5 4-OXO-CYCLOPENTANE-CIS-1,2-DICARBOXYLIC ACID DIMETHYL ESTER molecular structure lightbox
CAS RN: 28269-02-5

4-OXO-CYCLOPENTANE-CIS-1,2-DICARBOXYLIC ACID DIMETHYL ESTER

  • Product code: SSC-129161
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 28269-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

28269-02-5 / dimethyl 4-oxocyclopentane-1,2-dicarboxylate

Standard CAS: 28269-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28269-02-5
Multi CAS
Yes
Molecular Formula
C9H12O5
Molecular Weight
200.190000
Exact Mass
200.068473
InChI
InChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h6-7H,3-4H2,1-2H3
InChIKey
GMKJWKXCHOWVDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
45.25
TPSA
69.67

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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