![CAS 2266564-54-7 9,9′-bicarbazole]-3,3′,6,6′-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2266564-54-7.gif)
CAS RN: 2266564-54-7
9,9′-bicarbazole]-3,3′,6,6′-tetracarboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS2266564-54-7
- Purity/Analytical Methods: >99.0%
2266564-54-7 / 9-(3,6-dicarboxycarbazol-9-yl)carbazole-3,6-dicarboxylic acid
Basic Information
CAS
2266564-54-7
Multi CAS
No
Molecular Formula
C28H16N2O8
Molecular Weight
508.400000
Exact Mass
508.090665
SMILES
C1=CC2=C(C=C1C(=O)O)C3=C(N2N4C5=C(C=C(C=C5)C(=O)O)C6=C4C=CC(=C6)C(=O)O)C=CC(=C3)C(=O)O
InChI
InChI=1S/C28H16N2O8/c31-25(32)13-1-5-21-17(9-13)18-10-14(26(33)34)2-6-22(18)29(21)30-23-7-3-15(27(35)36)11-19(23)20-12-16(28(37)38)4-8-24(20)30/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)
InChIKey
KQSGDHZJOWBJCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
137.52
TPSA
159.06
LogP / Solubility
WLOGP
5.01
MLOGP
4.44
XLogP3
5
Consensus LogP
4.82
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
UMB298
- CAS RN: 2266569-73-5
- Product Code: starshine_CAS2266569-73-5
- Purity/Analytical method: >99.0%
-
3,3′,5,5′-tetra(pyridin-4-yl)-1,1′-biphenyl
- CAS RN: 2266619-47-8
- Product Code: starshine_CAS2266619-47-8
- Purity/Analytical method: >99.0%
-
-
EGFR-IN-7 (compound 34)
- CAS RN: 2267329-76-8
- Product Code: starshine_CAS2267329-76-8
- Purity/Analytical method: >99.0%
-
-
URAT1 inhibitor 1
- CAS RN: 2268720-62-1
- Product Code: starshine_CAS2268720-62-1
- Purity/Analytical method: >99.0%
