CAS RN: 94593-91-6
Cinosulfuron
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250428 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS94593-91-6
- Purity/Analytical Methods: >99.0%
94593-91-6 / 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[2-(2-methoxyethoxy)phenyl]sulfonylurea
Basic Information
CAS
94593-91-6
Multi CAS
Yes
Molecular Formula
C15H19N5O7S
Molecular Weight
413.400000
Exact Mass
413.100519
InChI
InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKey
WMLPCIHUFDKWJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
2
Molar refractivity
96.08
TPSA
150.86
LogP / Solubility
WLOGP
0.42
MLOGP
0.4
XLogP3
1.4
Consensus LogP
0.74
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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