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CAS 7529-87-5 Monoisopropyl Fumarate molecular structure lightbox
CAS RN: 7529-87-5

Monoisopropyl Fumarate

  • Product code: SSC-184748
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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: 25g
  • 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 7529-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

7529-87-5 / 4-oxo-4-propan-2-yloxybut-2-enoic acid

Standard CAS: 7529-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7529-87-5
Multi CAS
Yes
Molecular Formula
C7H10O4
Molecular Weight
158.150000
Exact Mass
158.057909
InChI
InChI=1S/C7H10O4/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3,(H,8,9)
InChIKey
FWUIHQFQLSWYED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38
TPSA
63.6

LogP / Solubility

WLOGP
0.58
MLOGP
0.5
XLogP3
0.7
Consensus LogP
0.59
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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