![CAS 79324-51-9 1,1-[4-(Ethylamino)-6-hydroxy-5-propyl-1,3-phenylene]bis-ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79324-51-9.gif)
CAS RN: 79324-51-9
1,1-[4-(Ethylamino)-6-hydroxy-5-propyl-1,3-phenylene]bis-ethanone
- Product code: SSC-188516
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
79324-51-9 / 1-[5-acetyl-2-(ethylamino)-4-hydroxy-3-propylphenyl]ethanone
Basic Information
CAS
79324-51-9
Multi CAS
No
Molecular Formula
C15H21NO3
Molecular Weight
263.330000
Exact Mass
263.152144
InChI
InChI=1S/C15H21NO3/c1-5-7-11-14(16-6-2)12(9(3)17)8-13(10(4)18)15(11)19/h8,16,19H,5-7H2,1-4H3
InChIKey
CQKYZTXHLWCUKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.27
TPSA
66.4
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.7
Consensus LogP
3.23
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
