![CAS 160972-33-8 N-[(n-butylaMino)carbonyl]-4-[(3-Methylphenyl)aMino]-3-pyridinesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160972-33-8.gif)
CAS RN: 160972-33-8
N-[(n-butylaMino)carbonyl]-4-[(3-Methylphenyl)aMino]-3-pyridinesulfonaMide
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.20260201 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS160972-33-8
- Purity/Analytical Methods: >99.0%
160972-33-8 / 1-butyl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
Basic Information
CAS
160972-33-8
Multi CAS
No
Molecular Formula
C17H22N4O3S
Molecular Weight
362.400000
Exact Mass
362.141262
SMILES
CCCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C
InChI
InChI=1S/C17H22N4O3S/c1-3-4-9-19-17(22)21-25(23,24)16-12-18-10-8-15(16)20-14-7-5-6-13(2)11-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,20)(H2,19,21,22)
InChIKey
YITRQCQYMPXGMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
97.33
TPSA
100.19
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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