CAS RN: 2065232-77-9
COF-V
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250330 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2065232-77-9
- Purity/Analytical Methods: >99.0%
2065232-77-9 / 4-[3,5-bis(4-aminophenyl)phenyl]aniline;2,5-bis(ethenyl)terephthalaldehyde
Basic Information
CAS
2065232-77-9
Multi CAS
No
Molecular Formula
C36H31N3O2
Molecular Weight
537.600000
Exact Mass
537.241627
SMILES
C=CC1=CC(=C(C=C1C=O)C=C)C=O.C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C24H21N3.C12H10O2/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;1-3-9-5-12(8-14)10(4-2)6-11(9)7-13/h1-15H,25-27H2;3-8H,1-2H2
InChIKey
FMJNEWBAAWJHHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
30
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
173.39
TPSA
112.2
LogP / Solubility
WLOGP
8.03
MLOGP
7.11
XLogP3
8.03
Consensus LogP
7.72
Log S (ESOL)
-8.31
Class (ESOL)
Insoluble
Log S (Ali)
-9.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.66
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
DAAO inhibitor-1
- CAS RN: 2065250-25-9
- Product Code: starshine_CAS2065250-25-9
- Purity/Analytical method: >99.0%
-
1H-Indazol-5-ol, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
- CAS RN: 2066567-78-8
- Product Code: SSC-097352
-
6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]pyridine
- CAS RN: 2067257-98-9
- Product Code: starshine_CAS2067257-98-9
- Purity/Analytical method: >99.0%
-
Soyasapogenol A 21-O-α-L-rhamnopyranoside
- CAS RN: 2067321-88-2
- Product Code: starshine_CAS2067321-88-2
- Purity/Analytical method: >99.0%
-
-
Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy-
- CAS RN: 2068065-03-0
- Product Code: starshine_CAS2068065-03-0
- Purity/Analytical method: >99.0%
![CAS 2067257-98-9 6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2067257-98-9.png)
![CAS 2068065-03-0 Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2068065-03-0.png)