CAS RN: 194357-64-7
2′,6′-DiMethylcarbonylphenyl-10-sulfopropylacridiniuM-9-carboxylate 4′-NHS Ester
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.20250629 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS194357-64-7
- Purity/Analytical Methods: >99.0%
194357-64-7 / 3-[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate
Basic Information
CAS
194357-64-7
Multi CAS
No
Molecular Formula
C30H26N2O9S
Molecular Weight
590.600000
Exact Mass
590.135902
SMILES
CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)ON5C(=O)CCC5=O
InChI
InChI=1S/C30H26N2O9S/c1-18-16-20(29(35)41-32-25(33)12-13-26(32)34)17-19(2)28(18)40-30(36)27-21-8-3-5-10-23(21)31(14-7-15-42(37,38)39)24-11-6-4-9-22(24)27/h3-6,8-11,16-17H,7,12-15H2,1-2H3
InChIKey
AAYSIOJYGRABGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
9
Molar refractivity
148.21
TPSA
151.06
LogP / Solubility
WLOGP
3.27
MLOGP
2.93
XLogP3
3.9
Consensus LogP
3.37
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
1H-Imidazole-4-carboxaldehyde,1-(1-methylethyl)-(9CI)
- CAS RN: 194366-34-2
- Product Code: SSC-091740
-
3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon
- CAS RN: 194413-58-6
- Product Code: SSC-091751
-
(1R,5S)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
- CAS RN: 194421-56-2
- Product Code: SSC-091754
-
-
N’-(4-Amino-2-cyanophenyl)-N,N-dimethylformamidine
- CAS RN: 194423-17-1
- Product Code: SSC-091757
-
O-TOLUIDINE-D9
- CAS RN: 194423-47-7
- Product Code: starshine_CAS194423-47-7
- Purity/Analytical method: >99.0%
![CAS 194413-58-6 3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/194413-58-6.gif)
![CAS 194421-56-2 (1R,5S)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/194421-56-2.gif)
