CAS RN: 65085-83-8
4-ACETYLDIPHENYL SULFONE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
- Product code: starshine_CAS65085-83-8
- Purity/Analytical Methods: >99.0%
65085-83-8 / 1-[4-(benzenesulfonyl)phenyl]ethanone
Basic Information
CAS
65085-83-8
Multi CAS
Yes
Molecular Formula
C14H12O3S
Molecular Weight
260.310000
Exact Mass
260.050715
InChI
InChI=1S/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
FGFHDNIGKVTTLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.34
TPSA
51.21
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Pirinixil
- CAS RN: 65089-17-0
- Product Code: starshine_CAS65089-17-0
- Purity/Analytical method: >99.0%
-
2-Thiophenecarboximidamide,N-hydroxy-5-nitro-
- CAS RN: 65089-54-5
- Product Code: SSC-174732
-
-
1′-METHYL-3,5,6,7-TETRAHYDROSPIRO[IMIDAZO[4,5-C]PYRIDINE-4,4′-PIPERIDINE]
- CAS RN: 65092-19-5
- Product Code: starshine_CAS65092-19-5
- Purity/Analytical method: >99.0%
-
1′-Benzyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4′-piperidine
- CAS RN: 65092-20-8
- Product Code: starshine_CAS65092-20-8
- Purity/Analytical method: >99.0%
-
1′-Acetyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4′-piperidine]
- CAS RN: 65092-21-9
- Product Code: starshine_CAS65092-21-9
- Purity/Analytical method: >99.0%
![CAS 65092-19-5 1′-METHYL-3,5,6,7-TETRAHYDROSPIRO[IMIDAZO[4,5-C]PYRIDINE-4,4′-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65092-19-5.gif)
![CAS 65092-20-8 1′-Benzyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4′-piperidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65092-20-8.gif)
![CAS 65092-21-9 1′-Acetyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4′-piperidine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02555247.gif)