CAS RN: 66156-75-0
2-(2,6-Dichloroanilino)-Phenylglyoxylic acid
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.20251120 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66156-75-0
- Purity/Analytical Methods: >99.0%
66156-75-0 / 2-[2-(2,6-dichloroanilino)phenyl]-2-oxoacetic acid
Basic Information
CAS
66156-75-0
Multi CAS
No
Molecular Formula
C14H9CL2NO3
Molecular Weight
310.100000
Exact Mass
308.995949
InChI
InChI=1S/C14H9Cl2NO3/c15-9-5-3-6-10(16)12(9)17-11-7-2-1-4-8(11)13(18)14(19)20/h1-7,17H,(H,19,20)
InChIKey
PQSLNUKSAGBMGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.15
TPSA
66.4
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
4.7
Consensus LogP
4.08
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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