CAS RN: 56719-68-7
METHYL 2,5-DICHLOROBENZOYLACETATE
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.20251024 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56719-68-7
- Purity/Analytical Methods: >99.0%
56719-68-7 / methyl 3-(2,5-dichlorophenyl)-3-oxopropanoate
Basic Information
CAS
56719-68-7
Multi CAS
Yes
Molecular Formula
C10H8CL2O3
Molecular Weight
247.070000
Exact Mass
245.985050
InChI
InChI=1S/C10H8Cl2O3/c1-15-10(14)5-9(13)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3
InChIKey
MALONIFXTCFWPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.43
TPSA
43.37
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.9
Consensus LogP
2.69
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.28
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
Customers Also Viewed
-
-
-
-
Icariside I
- CAS RN: 56725-99-6
- Product Code: starshine_CAS56725-99-6
- Purity/Analytical method: >99.0%
-
2-METHYLSULFANYL-4-PHENYLPYRIMIDINE
- CAS RN: 56734-10-2
- Product Code: starshine_CAS56734-10-2
- Purity/Analytical method: >99.0%
-
