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CAS 28269-03-6 4-OXO-CYCLOPENTANE-TRANS-1,2-DICARBOXYLIC ACID DIMETHYL ESTER molecular structure lightbox
CAS RN: 28269-03-6

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

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-129162
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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: ＞97%
  • 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 28269-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

28269-03-6 / trans-dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate

Standard CAS: 28269-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28269-03-6
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/t6-,7-/m0/s1
InChIKey
GMKJWKXCHOWVDN-BQBZGAKWSA-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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