CAS RN: 51937-85-0
1,3,5-Benzenetricarboxylic acid, copper salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251207 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS51937-85-0
- Purity/Analytical Methods: >99.0%
51937-85-0 / benzene-1,3,5-tricarboxylic acid;copper
Basic Information
CAS
51937-85-0
Multi CAS
Yes
Molecular Formula
C10H6O6U
Molecular Weight
273.690000
Exact Mass
272.946035
InChI
InChI=1S/C9H6O6.Cu/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2
InChIKey
IOBSZFIEBJGCFR-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.32
TPSA
111.9
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 51938-17-1
- Product Code: starshine_CAS51938-17-1
- Purity/Analytical method: >99.0%
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