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CAS 6053-46-9 3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride molecular structure lightbox
CAS RN: 6053-46-9

3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride

  • Product code: SSC-169133
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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 6053-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6053-46-9 / 4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone

Standard CAS: 6053-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6053-46-9
Multi CAS
Yes
Molecular Formula
C10H8O6
Molecular Weight
224.170000
Exact Mass
224.032088
InChI
InChI=1S/C10H8O6/c11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12/h3-5,7H,1-2H2
InChIKey
QVEIRZNRYOJFCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.6
H-bond acceptors
6
Molar refractivity
45.39
TPSA
86.74

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.51
XLogP3
-0.7
Consensus LogP
-0.6
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51

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
5.5

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