CAS RN: 71912-46-4
6-Phenyl-3,4-dihydro-1(2H)-naphthalenone
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.20250807 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS71912-46-4
- Purity/Analytical Methods: >99.0%
71912-46-4 / 6-phenyl-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
71912-46-4
Multi CAS
No
Molecular Formula
C16H14O
Molecular Weight
222.280000
Exact Mass
222.104465
InChI
InChI=1S/C16H14O/c17-16-8-4-7-14-11-13(9-10-15(14)16)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKey
YTMCAZRLLQPOBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
69.15
TPSA
17.07
LogP / Solubility
WLOGP
3.87
MLOGP
3.41
XLogP3
3.6
Consensus LogP
3.63
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble
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)
-1.33
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
-
-
-
Spiro[benzofuran-2(3H),4′-piperidine], 1′-(phenylMethyl)-
- CAS RN: 71916-71-7
- Product Code: SSC-181444
-
-
3H-SPIRO(1-BENZOFURAN-2,3”-PYRROLIDINE)
- CAS RN: 71916-78-4
- Product Code: starshine_CAS71916-78-4
- Purity/Analytical method: >99.0%
-
spiro[benzofuran-2(3H),1′-Methyl-4′-piperidine] hydrobroMide
- CAS RN: 71916-97-7
- Product Code: starshine_CAS71916-97-7
- Purity/Analytical method: >99.0%
![CAS 71916-71-7 Spiro[benzofuran-2(3H),4′-piperidine], 1′-(phenylMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-71-7.gif)
![CAS 71916-73-9 3H-SPIRO[1-BENZOFURAN-2,4”-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-73-9.gif)
![CAS 71916-97-7 spiro[benzofuran-2(3H),1′-Methyl-4′-piperidine] hydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-97-7.gif)