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
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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
55525-27-4 / tetramethyl propane-1,1,2,3-tetracarboxylate
Basic Information
CAS
55525-27-4
Multi CAS
No
Molecular Formula
C11H16O8
Molecular Weight
276.240000
Exact Mass
276.084517
InChI
InChI=1S/C11H16O8/c1-16-7(12)5-6(9(13)17-2)8(10(14)18-3)11(15)19-4/h6,8H,5H2,1-4H3
InChIKey
GDCMVQHUKVXNPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
59.66
TPSA
105.2
LogP / Solubility
WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.1
Consensus LogP
-0.47
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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