CAS RN: 794572-10-4
ML-184
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS794572-10-4
- Purity/Analytical Methods: >99.0%
794572-10-4 / 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
Basic Information
CAS
794572-10-4
Multi CAS
No
Molecular Formula
C25H34N4O3S
Molecular Weight
470.600000
Exact Mass
470.235162
InChI
InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
InChIKey
VRSJAHQGJHDACS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
132.79
TPSA
64.17
LogP / Solubility
WLOGP
3.12
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
2-Butenoic acid, 2-cyano-3-hydroxy-, ethyl ester, (2Z)-
- CAS RN: 794574-92-8
- Product Code: starshine_CAS794574-92-8
- Purity/Analytical method: >99.0%
-
4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
- CAS RN: 794578-70-4
- Product Code: SSC-188629
-
2-Pyridinecarboxamide, N-[2-(methylthio)phenyl]-
- CAS RN: 794582-15-3
- Product Code: starshine_CAS794582-15-3
- Purity/Analytical method: >99.0%
-
2-CHLORO-3-(CHLOROMETHYL)-7,8-DIMETHYLQUINOLINE
- CAS RN: 794582-35-7
- Product Code: starshine_CAS794582-35-7
- Purity/Analytical method: >99.0%
-
Imidazo[1,2-a]pyridine, 2-methyl-3-(1-piperazinylmethyl)- (9CI)
- CAS RN: 794582-36-8
- Product Code: SSC-188631
-
13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE
- CAS RN: 794586-44-0
- Product Code: starshine_CAS794586-44-0
- Purity/Analytical method: >99.0%
![CAS 794578-70-4 4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2179133.gif)
![CAS 794582-15-3 2-Pyridinecarboxamide, N-[2-(methylthio)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794582-15-3.gif)
![CAS 794582-36-8 Imidazo[1,2-a]pyridine, 2-methyl-3-(1-piperazinylmethyl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794582-36-8.gif)
