![CAS 65786-13-2 (2E)-3-[4-(Dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65786-13-2.gif)
CAS RN: 65786-13-2
(2E)-3-[4-(Dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
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.20250117 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65786-13-2
- Purity/Analytical Methods: >99.0%
65786-13-2 / 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
Basic Information
CAS
65786-13-2
Multi CAS
Yes
Molecular Formula
C17H17NO2
Molecular Weight
267.320000
Exact Mass
267.125929
InChI
InChI=1S/C17H17NO2/c1-18(2)14-10-7-13(8-11-14)9-12-17(20)15-5-3-4-6-16(15)19/h3-12,19H,1-2H3/b12-9+
InChIKey
NSBRMLGDDBWATL-FMIVXFBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.24
TPSA
40.54
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
4
Consensus LogP
3.44
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
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
Yes
Synthetic Accessibility
1.5
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