CAS RN: 1638768-94-1
6-methyl-1H-indazole-7-carboxylic 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.20250802 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1638768-94-1
- Purity/Analytical Methods: >99.0%
1638768-94-1 / 6-methyl-1H-indazole-7-carboxylic acid
Basic Information
CAS
1638768-94-1
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=C(C2=C(C=C1)C=NN2)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-5-2-3-6-4-10-11-8(6)7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
XGJPRMGETADLGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.79
TPSA
65.98
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1638769-03-5 METHYL 3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLATE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
METHYL 3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLATE
- CAS RN: 1638769-03-5
- Product Code: SSC-071448
-
-
6-chloro-1H-indazol-7-ol
- CAS RN: 1638769-08-0
- Product Code: starshine_CAS1638769-08-0
- Purity/Analytical method: >99.0%
-
tert-Butyl(3-formylbicyclo[1.1.1]pentan-1-yl)carbamate
- CAS RN: 1638771-06-8
- Product Code: SSC-071451
-
(4R)-4-amino-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
- CAS RN: 1638771-15-9
- Product Code: SSC-071452
-
4,6-dichloro-1-methyl-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1638771-16-0
- Product Code: SSC-071453
![CAS 1638769-03-5 METHYL 3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638769-03-5.gif)
![CAS 1638769-04-6 trans-6-amino-1-boc-1-azaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638769-04-6.gif)
![CAS 1638771-06-8 tert-Butyl(3-formylbicyclo[1.1.1]pentan-1-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638771-06-8.gif)
![CAS 1638771-15-9 (4R)-4-amino-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638771-15-9.gif)
![CAS 1638771-16-0 4,6-dichloro-1-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638771-16-0.gif)