![CAS 1327155-08-7 (E)-1,1′-bis(2-ethylhexyl)-6,6′-di(thiophen-2-yl)-[3,3′-biindolinylidene]-2,2′-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1327155-08-7.gif)
CAS RN: 1327155-08-7
(E)-1,1′-bis(2-ethylhexyl)-6,6′-di(thiophen-2-yl)-[3,3′-biindolinylidene]-2,2′-dione
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.20250619 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1327155-08-7
- Purity/Analytical Methods: >99.0%
1327155-08-7 / (3E)-1-(2-ethylhexyl)-3-[1-(2-ethylhexyl)-2-oxo-6-thiophen-2-ylindol-3-ylidene]-6-thiophen-2-ylindol-2-one
Basic Information
CAS
1327155-08-7
Multi CAS
No
Molecular Formula
C40H46N2O2S2
Molecular Weight
650.900000
Exact Mass
650.300071
SMILES
CCCCC(CC)CN1C2=C(C=CC(=C2)C3=CC=CS3)/C(=C\4/C5=C(C=C(C=C5)C6=CC=CS6)N(C4=O)CC(CC)CCCC)/C1=O
InChI
InChI=1S/C40H46N2O2S2/c1-5-9-13-27(7-3)25-41-33-23-29(35-15-11-21-45-35)17-19-31(33)37(39(41)43)38-32-20-18-30(36-16-12-22-46-36)24-34(32)42(40(38)44)26-28(8-4)14-10-6-2/h11-12,15-24,27-28H,5-10,13-14,25-26H2,1-4H3/b38-37+
InChIKey
HUVFZKFGCYAVOZ-HEFFKOSUSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
197.64
TPSA
40.62
LogP / Solubility
WLOGP
11.18
MLOGP
9.89
XLogP3
10.9
Consensus LogP
10.66
Log S (ESOL)
-10.35
Class (ESOL)
Insoluble
Log S (Ali)
-12.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.25
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
Customers Also Viewed
-
BPR1J-097
- CAS RN: 1327167-19-0
- Product Code: starshine_CAS1327167-19-0
- Purity/Analytical method: >99.0%
-
(5S)-5,6-dihydro-2-(2,3,4,5,6-pentafluorophenyl)-5-(phenylmethyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate
- CAS RN: 1327274-33-8
- Product Code: SSC-039528
-
(R)-4-benzyl-3-phenylpiperazin-2-one
- CAS RN: 1327310-56-4
- Product Code: starshine_CAS1327310-56-4
- Purity/Analytical method: >99.0%
-
1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one
- CAS RN: 1327334-59-7
- Product Code: starshine_CAS1327334-59-7
- Purity/Analytical method: >99.0%
-
{[5-(4-Fluorophenyl)isoxazol-3-yl]methyl}amine hydrochloride
- CAS RN: 1327645-29-3
- Product Code: SSC-039547
-
![CAS 1327274-33-8 (5S)-5,6-dihydro-2-(2,3,4,5,6-pentafluorophenyl)-5-(phenylmethyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1327274-33-8.gif)
![CAS 1327334-59-7 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1327334-59-7.gif)
![CAS 1327645-29-3 {[5-(4-Fluorophenyl)isoxazol-3-yl]methyl}amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1327645-29-3.gif)
