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CAS 22644-89-9 (Z)-diethyl 2,3-dimethylmaleate molecular structure lightbox
CAS RN: 22644-89-9

(Z)-diethyl 2,3-dimethylmaleate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110579
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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: 1g
  • 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 22644-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

22644-89-9 / diethyl (Z)-2,3-dimethylbut-2-enedioate

Standard CAS: 22644-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22644-89-9
Multi CAS
No
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
SMILES
CCOC(=O)/C(=C(/C)\C(=O)OCC)/C
InChI
InChI=1S/C10H16O4/c1-5-13-9(11)7(3)8(4)10(12)14-6-2/h5-6H2,1-4H3/b8-7-
InChIKey
LLKGSLDFLYDTMI-FPLPWBNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
51.64
TPSA
52.6

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.91

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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