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CAS 4200-92-4 n-Octylsuccinic Anhydride molecular structure lightbox
CAS RN: 4200-92-4

n-Octylsuccinic Anhydride

  • Product code: SSC-150327
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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: ≥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 4200-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

4200-92-4 / 3-octyloxolane-2,5-dione

Standard CAS: 4200-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4200-92-4
Multi CAS
Yes
Molecular Formula
C12H20O3
Molecular Weight
212.280000
Exact Mass
212.141245
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h10H,2-9H2,1H3
InChIKey
OAJCSERLBQROJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
57.2
TPSA
43.37

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
3.7
Consensus LogP
3.01
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-2.01

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
2

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