![CAS 53257-01-5 N,N-Dimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/53257-01-5.png)
CAS RN: 53257-01-5
N,N-Dimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
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.20250613 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN929697
53257-01-5 / N,N-dimethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
Basic Information
CAS
53257-01-5
Multi CAS
No
Molecular Formula
C13H12N2O3S
Molecular Weight
276.310000
Exact Mass
276.056863
InChI
InChI=1S/C13H12N2O3S/c1-15(2)19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)14-10/h3-7H,1-2H3,(H,14,16)
InChIKey
JOIBWHMHOASVNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.77
TPSA
66.48
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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