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CAS 596-75-8 Diethyl Dibutylmalonate molecular structure lightbox
CAS RN: 596-75-8

Diethyl Dibutylmalonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 5g In stock Shanghai Inquiry
  • Product code: SSC-168103
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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: 100g
  • 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 596-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

596-75-8 / diethyl 2,2-dibutylpropanedioate

Standard CAS: 596-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
596-75-8
Multi CAS
Yes
Molecular Formula
C15H28O4
Molecular Weight
272.380000
Exact Mass
272.198759
InChI
InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3
InChIKey
WHKKUUPZLWUOIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
74.75
TPSA
52.6

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
4.7
Consensus LogP
3.75
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly 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)
-1.91

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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