![CAS 1359431-16-5 [1]Benzothieno[2,3-b]pyridine-3-carboxamide, N-[4-(aminosulfonyl)phenyl]-1,2,5,6,7,8-hexahydro-4-hydroxy-2-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359431-16-5.gif)
CAS RN: 1359431-16-5
[1]Benzothieno[2,3-b]pyridine-3-carboxamide, N-[4-(aminosulfonyl)phenyl]-1,2,5,6,7,8-hexahydro-4-hydroxy-2-oxo-
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.20250318 | 5mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1359431-16-5
- Purity/Analytical Methods: >99.0%
1359431-16-5 / 4-hydroxy-2-oxo-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
Basic Information
CAS
1359431-16-5
Multi CAS
No
Molecular Formula
C18H17N3O5S2
Molecular Weight
419.500000
Exact Mass
419.060963
SMILES
C1CCC2=C(C1)C3=C(S2)NC(=O)C(=C3O)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H17N3O5S2/c19-28(25,26)10-7-5-9(6-8-10)20-16(23)14-15(22)13-11-3-1-2-4-12(11)27-18(13)21-17(14)24/h5-8H,1-4H2,(H,20,23)(H2,19,25,26)(H2,21,22,24)
InChIKey
MVQJFYRZMPKNIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
106.52
TPSA
142.35
LogP / Solubility
WLOGP
2.07
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
6-Oxa-1-azaspiro[3.3]heptane oxalate
- CAS RN: 1359655-43-8
- Product Code: starshine_CAS1359655-43-8
- Purity/Analytical method: >99.0%
-
tert-butyl 2-chloro-5-iodopyriMidin-4-ylcarbaMate
- CAS RN: 1359655-47-2
- Product Code: SSC-044522
-
-
tert-butyl2,6-diazaspiro[3.4]octane-6-carboxylateoxalate
- CAS RN: 1359655-84-7
- Product Code: SSC-044526
-
IMidazo[1,2-a]pyridine-3-carboxylic acid, 6-fluoro-, ethyl ester
- CAS RN: 1359655-87-0
- Product Code: SSC-044527
![CAS 1359655-43-8 6-Oxa-1-azaspiro[3.3]heptane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359655-43-8.gif)
![CAS 1359655-69-8 2-Boc-2,5-diazaspiro[3.4]octane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359655-69-8.gif)
![CAS 1359655-84-7 tert-butyl2,6-diazaspiro[3.4]octane-6-carboxylateoxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359655-84-7.gif)
![CAS 1359655-87-0 IMidazo[1,2-a]pyridine-3-carboxylic acid, 6-fluoro-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359655-87-0.gif)