CAS RN: 1246815-00-8
Fenvalerate-d5
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260518 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246815-00-8
- Purity/Analytical Methods: >99.0%
1246815-00-8 / [cyano-[3-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Basic Information
CAS
1246815-00-8
Multi CAS
No
Molecular Formula
C25H22ClNO3
Molecular Weight
424.900000
Exact Mass
424.160205
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=CC(=C2)C(C#N)OC(=O)C(C3=CC=C(C=C3)Cl)C(C)C)[2H])[2H]
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/i3D,4D,5D,8D,9D
InChIKey
NYPJDWWKZLNGGM-YQYLVRRTSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
116.44
TPSA
59.32
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
6.2
Consensus LogP
6.26
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Acute Toxic
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Customers Also Viewed
-
Perazine-d8
- CAS RN: 1246815-57-5
- Product Code: starshine_CAS1246815-57-5
- Purity/Analytical method: >99.0%
-
-
rac-2-[(1-Amino-3-methyl)butyl]aniline
- CAS RN: 1246816-03-4
- Product Code: starshine_CAS1246816-03-4
- Purity/Analytical method: >99.0%
-
Vincristine-d3 Sulfate
- CAS RN: 1246817-10-6
- Product Code: starshine_CAS1246817-10-6
- Purity/Analytical method: >99.0%
-
Benzydamine-d6 Hydrochloride
- CAS RN: 1246817-20-8
- Product Code: starshine_CAS1246817-20-8
- Purity/Analytical method: >99.0%
-
1-[[2-(2,4-dichlorophenyl)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- CAS RN: 1246818-14-3
- Product Code: starshine_CAS1246818-14-3
- Purity/Analytical method: >99.0%
![CAS 1246816-03-4 rac-2-[(1-Amino-3-methyl)butyl]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246816-03-4.gif)
![CAS 1246818-14-3 1-[[2-(2,4-dichlorophenyl)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246818-14-3.gif)