CAS RN: 207737-64-2
1-(4-(benzyloxy)phenyl)-4-methylpentan-3-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.20250720 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS207737-64-2
- Purity/Analytical Methods: >99.0%
207737-64-2 / 4-methyl-1-(4-phenylmethoxyphenyl)pentan-3-one
Basic Information
CAS
207737-64-2
Multi CAS
No
Molecular Formula
C19H22O2
Molecular Weight
282.400000
Exact Mass
282.161980
SMILES
CC(C)C(=O)CCC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C19H22O2/c1-15(2)19(20)13-10-16-8-11-18(12-9-16)21-14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3
InChIKey
HLJUQQMGAVBQNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
85.38
TPSA
26.3
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
4.3
Consensus LogP
4.21
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 207739-72-8 2,2′,7,7′-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207739-72-8.gif)
