![CAS 1393813-40-5 CarbaMic acid, N-[(propylaMino)sulfonyl]-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393813-40-5(2).gif)
CAS RN: 1393813-40-5
CarbaMic acid, N-[(propylaMino)sulfonyl]-, 1,1-diMethylethyl 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.20250326 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1393813-40-5
- Purity/Analytical Methods: >99.0%
1393813-40-5 / tert-butyl N-(propylsulfamoyl)carbamate
Basic Information
CAS
1393813-40-5
Multi CAS
No
Molecular Formula
C8H18N2O4S
Molecular Weight
238.310000
Exact Mass
238.098728
SMILES
CCCNS(=O)(=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H18N2O4S/c1-5-6-9-15(12,13)10-7(11)14-8(2,3)4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKey
DNKVAMMOETYAIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.58
TPSA
84.5
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
1.1
Consensus LogP
0.84
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1393813-42-7 SulfaMide, N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N’-propyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393813-42-7(2).gif)
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