CAS RN: 211512-13-9
1-AMINO-4-(2-NITROBENZENESULFONAMIDO)BUTANE
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.20250115 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS211512-13-9
- Purity/Analytical Methods: >99.0%
211512-13-9 / N-(4-aminobutyl)-2-nitrobenzenesulfonamide
Basic Information
CAS
211512-13-9
Multi CAS
No
Molecular Formula
C10H15N3O4S
Molecular Weight
273.310000
Exact Mass
273.078327
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCCN
InChI
InChI=1S/C10H15N3O4S/c11-7-3-4-8-12-18(16,17)10-6-2-1-5-9(10)13(14)15/h1-2,5-6,12H,3-4,7-8,11H2
InChIKey
NEIRGPMZEKSCSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.57
TPSA
115.33
LogP / Solubility
WLOGP
0.61
MLOGP
0.55
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 211516-63-1 Benzo[3,4]-18-norandrosta-3,5-diene-3(2’H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-4′,4′,9,14-tetraMethyl-17-oxo-, Methyl ester, (3β,4β,8α,9β,10α,13α,14β)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211516-63-1.gif)
