CAS RN: 183675-82-3
Penthiopyrad
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5 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 25mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS183675-82-3
- Purity/Analytical Methods: >99.0%
183675-82-3 / 1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
Basic Information
CAS
183675-82-3
Multi CAS
No
Molecular Formula
C16H20F3N3OS
Molecular Weight
359.400000
Exact Mass
359.127918
SMILES
CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
InChI
InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)
InChIKey
PFFIDZXUXFLSSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.35
TPSA
46.92
LogP / Solubility
WLOGP
4.9
MLOGP
4.33
XLogP3
4
Consensus LogP
4.41
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Environmental Hazard
Corrosive
Irritant
Signal
Warning
Danger
GHS Hazard Statements
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H400 (65.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (65.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H411 (34.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501
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![CAS 183683-28-5 AcetaMide, N-[2-[(4-chlorophenyl)Methyl]-4-piperidinyl]-, Monohydrochloride, trans- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/183683-28-5.gif)
