.gif)
CAS RN: 1467062-18-5
5-bromo-6-chloro-1H-Indazole-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-057675
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1467062-18-5 / 5-bromo-6-chloro-1H-indazole-3-carboxylic acid
Basic Information
CAS
1467062-18-5
Multi CAS
No
Molecular Formula
C8H4BrClN2O2
Molecular Weight
275.480000
Exact Mass
273.914470
SMILES
C1=C2C(=CC(=C1Br)Cl)NN=C2C(=O)O
InChI
InChI=1S/C8H4BrClN2O2/c9-4-1-3-6(2-5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
BDKDBWICHJLRTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.76
TPSA
65.98
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
methyl 5-bromo-6-chloro-1H-indazole-3-carboxylate
- CAS RN: 1467062-19-6
- Product Code: starshine_CAS1467062-19-6
- Purity/Analytical method: >99.0%
-
Hybridaphniphylline A
- CAS RN: 1467083-07-3
- Product Code: starshine_CAS1467083-07-3
- Purity/Analytical method: >99.0%
-
Hybridaphniphylline B
- CAS RN: 1467083-09-5
- Product Code: starshine_CAS1467083-09-5
- Purity/Analytical method: >99.0%
-
Daphnicyclidin I
- CAS RN: 1467083-10-8
- Product Code: starshine_CAS1467083-10-8
- Purity/Analytical method: >99.0%
-
-
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- CAS RN: 1467103-13-4
- Product Code: starshine_CAS1467103-13-4
- Purity/Analytical method: >99.0%
![CAS 1467103-13-4 7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1467103-13-4.gif)