![CAS 1159831-32-9 6-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159831-32-9.gif)
CAS RN: 1159831-32-9
6-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251103 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1159831-32-9
- Purity/Analytical Methods: >99.0%
1159831-32-9 / 6-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
6-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid | MFCD12401437 | AKOS022695621
Basic Information
CAS
1159831-32-9
Multi CAS
No
Molecular Formula
C7H4ClN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
SMILES
C1=CC2=NN=C(N2C=C1Cl)C(=O)O
InChI
InChI=1S/C7H4ClN3O2/c8-4-1-2-5-9-10-6(7(12)13)11(5)3-4/h1-3H,(H,12,13)
InChIKey
SADZWTBPZOQIBY-UHFFFAOYSA-N
Synonyms
6-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
MFCD12401437
AKOS022695621
KS-9133
CS-0155633
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.96
TPSA
67.49
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.7
Consensus LogP
1.24
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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