CAS RN: 152019-74-4
S-Metolachlor CGA 50720
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.20260325 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS152019-74-4
- Purity/Analytical Methods: >99.0%
152019-74-4 / 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid
Basic Information
CAS
152019-74-4
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CCC1=CC=CC(=C1NC(=O)C(=O)O)C
InChI
InChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
SAWXESXDACFEPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.82
TPSA
66.4
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
METHYL 4-(2,4-DIMETHYLPHENYL)-2,4-DIOXOBUTANOATE
- CAS RN: 152034-52-1
- Product Code: SSC-061823
-
-
“2-[2-(2-Bromoethoxy)ethoxy]tetrahydro-2H-pyran2-[2-(2-溴乙氧基)乙氧基]四氢-2H-吡喃”
- CAS RN: 152065-54-8
- Product Code: SSC-061851
-
-
![CAS 152065-54-8 “2-[2-(2-Bromoethoxy)ethoxy]tetrahydro-2H-pyran2-[2-(2-溴乙氧基)乙氧基]四氢-2H-吡喃” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/152065-54-8.gif)
