CAS RN: 195371-52-9
NSC 42834
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS195371-52-9
- Purity/Analytical Methods: >99.0%
195371-52-9 / 2-methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-one
Basic Information
CAS
195371-52-9
Multi CAS
No
Molecular Formula
C23H24N2O
Molecular Weight
344.400000
Exact Mass
344.188863
SMILES
CC(CCC1=CC=CC=N1)(CCC2=CC=CC=N2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H24N2O/c1-23(15-13-20-11-5-7-17-24-20,16-14-21-12-6-8-18-25-21)22(26)19-9-3-2-4-10-19/h2-12,17-18H,13-16H2,1H3
InChIKey
SETYDCSRABYHSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
104
TPSA
42.85
LogP / Solubility
WLOGP
4.93
MLOGP
4.36
XLogP3
4.5
Consensus LogP
4.6
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
N2-isobutyryl-3′-(trityl)amino-2′, 3′-dideoxyguanosine-5′-cyanoethyl Phosphoramidite
- CAS RN: 195375-66-7
- Product Code: starshine_CAS195375-66-7
- Purity/Analytical method: >99.0%
-
“(4S,4’S)-2,2′-Cyclopropylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.”
- CAS RN: 195379-09-0
- Product Code: SSC-092158
-
Carbamic acid, (2,2-dimethyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 195387-13-4
- Product Code: SSC-092161
-
4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
- CAS RN: 195387-29-2
- Product Code: SSC-092162
-
(4R,4’R)-2,2′-(4,6-Dibenzofurandiyl)bis[4,5-dihydro-4-phenyloxazole]
- CAS RN: 195433-00-2
- Product Code: SSC-092174
-
![CAS 195379-09-0 “(4S,4’S)-2,2′-Cyclopropylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195379-09-0.gif)
![CAS 195433-00-2 (4R,4’R)-2,2′-(4,6-Dibenzofurandiyl)bis[4,5-dihydro-4-phenyloxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195433-00-2.gif)
