CAS RN: 25552-17-4
1-Phenyl-5-methyl-1-hexanone
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.20250930 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25552-17-4
- Purity/Analytical Methods: >99.0%
25552-17-4 / 5-methyl-1-phenylhexan-1-one
Basic Information
CAS
25552-17-4
Multi CAS
No
Molecular Formula
C13H18O
Molecular Weight
190.280000
Exact Mass
190.135765
SMILES
CC(C)CCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H18O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKey
GDLHZUSLTJYZFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
59.46
TPSA
17.07
LogP / Solubility
WLOGP
3.7
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
N-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBOTHIOYL]BENZENECARBOXAMIDE
- CAS RN: 25561-81-3
- Product Code: starshine_CAS25561-81-3
- Purity/Analytical method: >99.0%
-
-
![CAS 25561-81-3 N-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBOTHIOYL]BENZENECARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2245968.gif)
