![CAS 100478-04-4 Ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100478-04-4(2).gif)
CAS RN: 100478-04-4
Ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate
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.20250819 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS100478-04-4
- Purity/Analytical Methods: >99.0%
100478-04-4 / ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate
ETHYL 7-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLATE | MFCD12964051 | 7-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLIC ACID ETHYL ESTER
Basic Information
CAS
100478-04-4
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
CCOC(=O)C1=CN=C2C=NNC2=C1Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-6-4-12-13-8(6)7(5)10/h3-4H,2H2,1H3,(H,12,13)
InChIKey
XIHDSBGJZZFOSZ-UHFFFAOYSA-N
Synonyms
ETHYL 7-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLATE
MFCD12964051
7-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazolo[4,3-b]pyridine-6-carboxylic acid, 7-chloro-, ethyl ester
Ethyl 7-chloro-1H-pyrazolo-[4,3-b]pyridine-6-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.86
TPSA
67.87
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 100478-05-5 7-Chloro-5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-Chloro-5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
- CAS RN: 100478-05-5
- Product Code: starshine_CAS100478-05-5
- Purity/Analytical method: >99.0%
-
-
2,2′,4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4′,5′-diphenyl-1,1′-biimidazole
- CAS RN: 100486-97-3
- Product Code: starshine_CAS100486-97-3
- Purity/Analytical method: >99.0%
-
-
4,5-Dimethylisatin
- CAS RN: 100487-79-4
- Product Code: starshine_CAS100487-79-4
- Purity/Analytical method: >99.0%
-
![CAS 100478-05-5 7-Chloro-5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100478-05-5(2).gif)
