CAS RN: 517-60-2
Mellitic Acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-158651
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
517-60-2 / benzene-1,2,3,4,5,6-hexacarboxylic acid
Basic Information
CAS
517-60-2
Multi CAS
Yes
Molecular Formula
C12H6O12
Molecular Weight
342.170000
Exact Mass
341.985926
InChI
InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
YDSWCNNOKPMOTP-UHFFFAOYSA-N
Physical Properties
Physical Description
Beige powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
68.2
TPSA
223.8
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.09
XLogP3
-0.9
Consensus LogP
-0.37
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
