CAS RN: 885521-31-3
4-NITRO INDAZOLE-3-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.20260528 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS885521-31-3
- Purity/Analytical Methods: >99.0%
885521-31-3 / 4-nitro-1H-indazole-3-carboxylic acid
Basic Information
CAS
885521-31-3
Multi CAS
Yes
Molecular Formula
C8H5N3O4
Molecular Weight
207.140000
Exact Mass
207.028006
InChI
InChI=1S/C8H5N3O4/c12-8(13)7-6-4(9-10-7)2-1-3-5(6)11(14)15/h1-3H,(H,9,10)(H,12,13)
InChIKey
NOGNCWRLCOJHDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.71
TPSA
109.12
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
3-CHLORO-4-FLUORO-6-INDAZOLECARBOXYLIC ACID METHYL ESTER
- CAS RN: 885521-38-0
- Product Code: SSC-199595
-
6-METHOXY-4-METHYL-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 885521-39-1
- Product Code: starshine_CAS885521-39-1
- Purity/Analytical method: >99.0%
-
3-BROMO-4-FLUORO-6-INDAZOLECARBOXYLIC ACID METHYL ESTER
- CAS RN: 885521-41-5
- Product Code: SSC-199596
-
4-FLUORO-6-INDAZOLECARBOXYLIC ACID METHYL ESTER
- CAS RN: 885521-44-8
- Product Code: SSC-199598
