CAS RN: 28081-19-8
4-(DIMETHYLAMINO)-4′-FLUOROCHALCONE
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.20250420 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28081-19-8
- Purity/Analytical Methods: >99.0%
28081-19-8 / 3-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
Basic Information
CAS
28081-19-8
Multi CAS
Yes
Molecular Formula
C17H16FNO
Molecular Weight
269.310000
Exact Mass
269.121592
InChI
InChI=1S/C17H16FNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3
InChIKey
WXIXYWVTPSVBET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
80.53
TPSA
20.31
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.3
Consensus LogP
3.48
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
6-HYDROXYDOPAMINE HYDROCHLORIDE
- CAS RN: 28094-15-7
- Product Code: starshine_CAS28094-15-7
- Purity/Analytical method: >99.0%
-
Ulopterol
- CAS RN: 28095-18-3
- Product Code: starshine_CAS28095-18-3
- Purity/Analytical method: >99.0%
-
-
5-METHYLTETRALINE
- CAS RN: 2809-64-5
- Product Code: starshine_CAS2809-64-5
- Purity/Analytical method: >99.0%
