CAS RN: 821767-62-8
1H-INDAZOLE-1-CARBOXYLIC ACID,6-FORMYL-,1,1-DIMETHYLETHYL ESTER
- Product code: SSC-190374
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
821767-62-8 / tert-butyl 6-formylindazole-1-carboxylate
Basic Information
CAS
821767-62-8
Multi CAS
No
Molecular Formula
C13H14N2O3
Molecular Weight
246.260000
Exact Mass
246.100442
InChI
InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-11-6-9(8-16)4-5-10(11)7-14-15/h4-8H,1-3H3
InChIKey
AYONYNIBPBZQNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
66.75
TPSA
61.19
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 821768-06-3 4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
- CAS RN: 821768-06-3
- Product Code: starshine_CAS821768-06-3
- Purity/Analytical method: >99.0%
-
1-[3-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
- CAS RN: 821768-09-6
- Product Code: SSC-190375
-
Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester
- CAS RN: 821773-44-8
- Product Code: SSC-190376
-
6-tert-butyl 3-ethyl 4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate
- CAS RN: 821785-75-5
- Product Code: SSC-190379
-
6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester
- CAS RN: 821785-76-6
- Product Code: SSC-190380
-
4-CHLORO-1-METHYL-6-OXO-1,6-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 821791-58-6
- Product Code: SSC-190381
![CAS 821768-06-3 4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821768-06-3.gif)
![CAS 821768-09-6 1-[3-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821768-09-6.gif)
![CAS 821785-75-5 6-tert-butyl 3-ethyl 4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821785-75-5.gif)
![CAS 821785-76-6 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821785-76-6.gif)
