CAS RN: 24493-21-8
2,2,3,3-D4-3-(TRIMETHYLSILYL)PROPIONIC ACID SODIUM SALT
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS24493-21-8
- Purity/Analytical Methods: >99.0%
24493-21-8 / 4-chloro-1-(2,4-dichlorophenoxy)-2-nitrobenzene
Basic Information
CAS
24493-21-8
Multi CAS
No
Molecular Formula
C12H6Cl3NO3
Molecular Weight
318.500000
Exact Mass
316.941326
SMILES
C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H6Cl3NO3/c13-7-1-3-11(9(15)5-7)19-12-4-2-8(14)6-10(12)16(17)18/h1-6H
InChIKey
OQMMGSQEZLAGCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
74.64
TPSA
52.37
LogP / Solubility
WLOGP
5.35
MLOGP
4.72
XLogP3
5.3
Consensus LogP
5.12
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
METHYLTRIGLYCOLMETHACRYLATE
- CAS RN: 24493-59-2
- Product Code: starshine_CAS24493-59-2
- Purity/Analytical method: >99.0%
-
N,N-DIMETHYL-1-PHENYLETHYLAMINE
- CAS RN: 2449-49-2
- Product Code: starshine_CAS2449-49-2
- Purity/Analytical method: >99.0%
-
-
-
2,4-diamino-3-(nitro)pyridine
- CAS RN: 24501-21-1
- Product Code: starshine_CAS24501-21-1
- Purity/Analytical method: >99.0%
-
