![CAS 58155-35-4 1-Ethyl-3-[[4-(m-toluidino)-3-pyridyl]sulfonyl]urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58155-35-4.gif)
CAS RN: 58155-35-4
1-Ethyl-3-[[4-(m-toluidino)-3-pyridyl]sulfonyl]urea
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.20260630 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58155-35-4
- Purity/Analytical Methods: >99.0%
58155-35-4 / 1-ethyl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
Basic Information
CAS
58155-35-4
Multi CAS
No
Molecular Formula
C15H18N4O3S
Molecular Weight
334.400000
Exact Mass
334.109962
InChI
InChI=1S/C15H18N4O3S/c1-3-17-15(20)19-23(21,22)14-10-16-8-7-13(14)18-12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,16,18)(H2,17,19,20)
InChIKey
ZPXQRKMODMEHCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
88.09
TPSA
100.19
LogP / Solubility
WLOGP
2.14
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
6-(tert-butoxy)pyridin-3-amine
- CAS RN: 58155-80-9
- Product Code: starshine_CAS58155-80-9
- Purity/Analytical method: >99.0%
-
-
-
N1-(1-OXO-2,3-DIHYDRO-1H-INDEN-5-YL)ACETAMIDE
- CAS RN: 58161-35-6
- Product Code: SSC-166388
-
-
