![CAS 1361344-16-2 diethyl 5′-ethynyl-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1361344-16-2.gif)
CAS RN: 1361344-16-2
diethyl 5′-ethynyl-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250311 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1361344-16-2
- Purity/Analytical Methods: >99.0%
1361344-16-2 / ethyl 4-[3-(4-ethoxycarbonylphenyl)-5-ethynylphenyl]benzoate
Basic Information
CAS
1361344-16-2
Multi CAS
No
Molecular Formula
C26H22O4
Molecular Weight
398.400000
Exact Mass
398.151809
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2)C#C)C3=CC=C(C=C3)C(=O)OCC
InChI
InChI=1S/C26H22O4/c1-4-18-15-23(19-7-11-21(12-8-19)25(27)29-5-2)17-24(16-18)20-9-13-22(14-10-20)26(28)30-6-3/h1,7-17H,5-6H2,2-3H3
InChIKey
OLLKWFSSTKMROR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
117.16
TPSA
52.6
LogP / Solubility
WLOGP
5.36
MLOGP
4.74
XLogP3
5.9
Consensus LogP
5.33
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-isopropyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
- CAS RN: 1361380-69-9
- Product Code: SSC-045030
-
2-Cyano-4-(trifluoromethyl)phenyl methyl sulphone, 3-Cyano-4-(methylsulphonyl)benzotrifluoride
- CAS RN: 1361385-30-9
- Product Code: SSC-045031
-
6-tert-Butyl-2,3-dihydro-isoindol-1-one
- CAS RN: 1361386-73-3
- Product Code: starshine_CAS1361386-73-3
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-amino-2,2-dimethyl-1-piperidinecarboxylate
- CAS RN: 1361396-89-5
- Product Code: SSC-045035
-
7-Bromo-4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2-carbaldehyde
- CAS RN: 1361418-07-6
- Product Code: SSC-045039
-
7H-Pyrrolo[2,3-c]pyridin-7-one, 4-broMo-1,6-dihydro-
- CAS RN: 1361481-62-0
- Product Code: SSC-045042
.gif)
.gif)
![CAS 1361418-07-6 7-Bromo-4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1361418-07-6.gif)
![CAS 1361481-62-0 7H-Pyrrolo[2,3-c]pyridin-7-one, 4-broMo-1,6-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1361481-62-0.gif)