![CAS 469865-01-8 10,10′-Dimethyl-9,9′-biacridinium Bis(monomethyl Terephthalate) [for Chemiluminescence Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4339-jpgcontextbwfzdgvyfhjvb3r8ndu5otf8aw1hz2uvanblz3xozwivagq3lzg5mjkwndu1nzc3ntgvqjqzmzkuanbnfdlhyzk4mdhlmdi4zta3njlhyzuzywmwmtkwyzywogewowmynzg2owrkymnkmguxnda5yzjhowu2mdrizmy5ngi.jpeg)
CAS RN: 469865-01-8
10,10′-Dimethyl-9,9′-biacridinium Bis(monomethyl Terephthalate) [for Chemiluminescence Research]
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB4339
469865-01-8 / bis(4-methoxycarbonylbenzoate);10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium
Basic Information
CAS
469865-01-8
Multi CAS
Yes
Molecular Formula
C46H36N2O8
Molecular Weight
744.800000
Exact Mass
744.247166
InChI
InChI=1S/C28H22N2.2C9H8O4/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*1-13-9(12)7-4-2-6(3-5-7)8(10)11/h3-18H,1-2H3;2*2-5H,1H3,(H,10,11)/q+2;;/p-2
InChIKey
BPSROIZFFFEAQI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
40
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
208.48
TPSA
140.62
LogP / Solubility
WLOGP
5.29
MLOGP
4.72
XLogP3
5.29
Consensus LogP
5.1
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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