![CAS 2097132-15-3 [1,1′:4′,1”-Terphenyl]-2′,5′-dicarboxaldehyde,4,4”-bis[bis(4-formylphenyl) amino molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097132-15-3.png)
CAS RN: 2097132-15-3
[1,1′:4′,1”-Terphenyl]-2′,5′-dicarboxaldehyde,4,4”-bis[bis(4-formylphenyl) amino
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS2097132-15-3
- Purity/Analytical Methods: >99.0%
2097132-15-3 / 2,5-bis[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]terephthalaldehyde
Basic Information
CAS
2097132-15-3
Multi CAS
No
Molecular Formula
C48H32N2O6
Molecular Weight
732.800000
Exact Mass
732.226037
SMILES
C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C4=CC(=C(C=C4C=O)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C=O)C=O
InChI
InChI=1S/C48H32N2O6/c51-27-33-1-13-41(14-2-33)49(42-15-3-34(28-52)4-16-42)45-21-9-37(10-22-45)47-25-40(32-56)48(26-39(47)31-55)38-11-23-46(24-12-38)50(43-17-5-35(29-53)6-18-43)44-19-7-36(30-54)8-20-44/h1-32H
InChIKey
ZIIHMUQSIMZVLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
42
Rotatable bonds
14
H-bond acceptors
8
Molar refractivity
219
TPSA
108.9
LogP / Solubility
WLOGP
10.84
MLOGP
9.6
XLogP3
8.4
Consensus LogP
9.61
Log S (ESOL)
-10.84
Class (ESOL)
Insoluble
Log S (Ali)
-13.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.1
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
BLU-667 (Pralsetinib)
- CAS RN: 2097132-94-8
- Product Code: starshine_CAS2097132-94-8
- Purity/Analytical method: >99.0%
-
(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridyl]ethanamine hydrochloride
- CAS RN: 2097133-17-8
- Product Code: SSC-099505
-
Cyclohexanecarboxylic acid, 4-iodo-1-methoxy-, methyl ester
- CAS RN: 2097133-18-9
- Product Code: SSC-099506
-
Cyclohexanecarboxylic acid, 4-(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)-1-methoxy-, methyl ester
- CAS RN: 2097133-30-5
- Product Code: SSC-099507
-
Cyclohexanecarboxylic acid, 4-(4-chloro-6-methyl-2-pyrimidinyl)-1-methoxy-, methyl ester
- CAS RN: 2097133-31-6
- Product Code: SSC-099508
-
methyl 8-methoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
- CAS RN: 2097133-36-1
- Product Code: SSC-099509
![CAS 2097133-17-8 (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridyl]ethanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097133-17-8.png)
![CAS 2097133-36-1 methyl 8-methoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097133-36-1.png)