![CAS 1884199-58-9 3-(N-(1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884199-58-9.gif)
CAS RN: 1884199-58-9
3-(N-(1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzoic acid
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.20260131 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1884199-58-9
- Purity/Analytical Methods: >99.0%
1884199-58-9 / 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzoic acid
Basic Information
CAS
1884199-58-9
Multi CAS
No
Molecular Formula
C25H25N3O7S
Molecular Weight
511.500000
Exact Mass
511.141321
SMILES
CCCOC1=CC(=CC=C1)OC2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)N(C(=O)N3C)C
InChI
InChI=1S/C25H25N3O7S/c1-4-11-34-17-8-6-9-18(13-17)35-23-15-22-21(27(2)25(31)28(22)3)14-20(23)26-36(32,33)19-10-5-7-16(12-19)24(29)30/h5-10,12-15,26H,4,11H2,1-3H3,(H,29,30)
InChIKey
CSANDRWEASXJHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
134.67
TPSA
128.86
LogP / Solubility
WLOGP
3.96
MLOGP
3.52
XLogP3
3.4
Consensus LogP
3.63
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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