CAS RN: 26767-07-7
2-(3-Chlorophenyl)-2-oxoacetic 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.20260312 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26767-07-7
- Purity/Analytical Methods: >99.0%
26767-07-7 / 2-(3-chlorophenyl)-2-oxoacetic acid
Basic Information
CAS
26767-07-7
Multi CAS
No
Molecular Formula
C8H5ClO3
Molecular Weight
184.570000
Exact Mass
183.992722
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C(=O)O
InChI
InChI=1S/C8H5ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChIKey
AFHZHGQGROJXQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.42
TPSA
54.37
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
2.6
Consensus LogP
1.87
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.7
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
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