![CAS 762269-61-4 5′-(4-(diphenylamino)phenyl)-[2,2′-bithiophene]-5-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/762269-61-4.png)
CAS RN: 762269-61-4
5′-(4-(diphenylamino)phenyl)-[2,2′-bithiophene]-5-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND887182
762269-61-4 / 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde
Basic Information
CAS
762269-61-4
Multi CAS
No
Molecular Formula
C27H19NOS2
Molecular Weight
437.600000
Exact Mass
437.090807
InChI
InChI=1S/C27H19NOS2/c29-19-24-15-16-26(30-24)27-18-17-25(31-27)20-11-13-23(14-12-20)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H
InChIKey
OGSMWVRYYHFWFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
28
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
133.14
TPSA
20.31
LogP / Solubility
WLOGP
8.43
MLOGP
7.44
XLogP3
7.7
Consensus LogP
7.86
Log S (ESOL)
-8.13
Class (ESOL)
Insoluble
Log S (Ali)
-9.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
Farnesylacetone
- CAS RN: 762-29-8
- Product Code: starshine_CAS762-29-8
- Purity/Analytical method: >99.0%
-
-
1-Fluoro-2-iodoethane (stabilized with Copper chip)
- CAS RN: 762-51-6
- Product Code: SSC-185638
-
-
