CAS RN: 1322091-24-6
4-fluoro-2-((4-Methoxyphenyl)ethynyl)benzaldehyde
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.20251101 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1322091-24-6
- Purity/Analytical Methods: >99.0%
1322091-24-6 / 4-fluoro-2-[2-(4-methoxyphenyl)ethynyl]benzaldehyde
Basic Information
CAS
1322091-24-6
Multi CAS
No
Molecular Formula
C16H11FO2
Molecular Weight
254.250000
Exact Mass
254.074308
SMILES
COC1=CC=C(C=C1)C#CC2=C(C=CC(=C2)F)C=O
InChI
InChI=1S/C16H11FO2/c1-19-16-8-3-12(4-9-16)2-5-13-10-15(17)7-6-14(13)11-18/h3-4,6-11H,1H3
InChIKey
POTGGJSRXKXQNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
70.76
TPSA
26.3
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.5
Consensus LogP
3.08
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(4-Methylphenyl)-3-oxetanamine hydrochloride
- CAS RN: 1322200-77-0
- Product Code: starshine_CAS1322200-77-0
- Purity/Analytical method: >99.0%
-
CATPB
- CAS RN: 1322598-09-3
- Product Code: starshine_CAS1322598-09-3
- Purity/Analytical method: >99.0%
-
-
1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-
- CAS RN: 1322616-34-1
- Product Code: SSC-039233
-
5-Quinolinecarboxylic acid, 7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-Methyl-1H-1,2,4-triazol-5-yl)-4-oxo-, Methyl ester
- CAS RN: 1322616-36-3
- Product Code: SSC-039234
-
O-Desmethyl Mycophenolate Mofetil (Impurity A)
- CAS RN: 1322681-36-6
- Product Code: starshine_CAS1322681-36-6
- Purity/Analytical method: >99.0%
![CAS 1322616-34-1 1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1322616-34-1.gif)
