[email protected]
CAS 2459-10-1 Trimethyl Trimellitate molecular structure lightbox
CAS RN: 2459-10-1

Trimethyl Trimellitate

  • Product code: SSC-119390
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2459-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

2459-10-1 / trimethyl benzene-1,2,4-tricarboxylate

Standard CAS: 2459-10-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2459-10-1
Multi CAS
No
Molecular Formula
C12H12O6
Molecular Weight
252.220000
Exact Mass
252.063388
SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3
InChIKey
MJHNUUNSCNRGJE-UHFFFAOYSA-N

Physical Properties

Melting Point
-13 °C
Boiling Point
194 °C at 12 mm Hg
Density
1.261
Physical Description
White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
60.46
TPSA
78.9

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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
1.5

Customers Also Viewed

Get In Touch

Contact Us