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CAS 42103-98-0 Diethyl Isopropylidenesuccinate molecular structure lightbox
CAS RN: 42103-98-0

Diethyl Isopropylidenesuccinate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 1g In stock Shanghai Inquiry
  • Product code: SSC-150429
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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: ≥98%
  • 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 42103-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

42103-98-0 / diethyl 2-propan-2-ylidenebutanedioate

Standard CAS: 42103-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42103-98-0
Multi CAS
Yes
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
InChI
InChI=1S/C11H18O4/c1-5-14-10(12)7-9(8(3)4)11(13)15-6-2/h5-7H2,1-4H3
InChIKey
FSUBDXPWXDGTBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
56.26
TPSA
52.6

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.72

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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