CAS RN: 53636-66-1
5-Chloro-pyridine-2,3-dicarboxylic 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.20251008 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53636-66-1
- Purity/Analytical Methods: >99.0%
53636-66-1 / 5-chloropyridine-2,3-dicarboxylic acid
Basic Information
CAS
53636-66-1
Multi CAS
No
Molecular Formula
C7H4CLNO4
Molecular Weight
201.560000
Exact Mass
200.982885
InChI
InChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)5(7(12)13)9-2-3/h1-2H,(H,10,11)(H,12,13)
InChIKey
HRZJSPYJMYUKMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.17
TPSA
87.49
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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