CAS RN: 3724-52-5
1,2,3,4-Cyclopentanetetracarboxylic Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-144605
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
3724-52-5 / cyclopentane-1,2,3,4-tetracarboxylic acid
Basic Information
CAS
3724-52-5
Multi CAS
No
Molecular Formula
C9H10O8
Molecular Weight
246.170000
Exact Mass
246.037567
InChI
InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
InChIKey
WOSVXXBNNCUXMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
49.12
TPSA
149.2
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.7
XLogP3
-1.5
Consensus LogP
-1
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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- CAS RN: 16526-68-4
- Product Code: SSC-072222
