CAS RN: 59662-27-0
p-Heptanoylbiphenyl
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.20251128 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59662-27-0
- Purity/Analytical Methods: >99.0%
59662-27-0 / 1-(4-phenylphenyl)heptan-1-one
Basic Information
CAS
59662-27-0
Multi CAS
No
Molecular Formula
C19H22O
Molecular Weight
266.400000
Exact Mass
266.167065
InChI
InChI=1S/C19H22O/c1-2-3-4-8-11-19(20)18-14-12-17(13-15-18)16-9-6-5-7-10-16/h5-7,9-10,12-15H,2-4,8,11H2,1H3
InChIKey
YCPKHSFFVZYFMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
84.97
TPSA
17.07
LogP / Solubility
WLOGP
5.51
MLOGP
4.85
XLogP3
6
Consensus LogP
5.45
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.8
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)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4′-N-OCTYLBIPHENYL-4-CARBOXYLIC ACID
- CAS RN: 59662-49-6
- Product Code: starshine_CAS59662-49-6
- Purity/Analytical method: >99.0%
-
-
-
-
