CAS RN: 57639-16-4
5-BROMO-3-PHENYL-1H-INDAZOLE
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.20260403 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57639-16-4
- Purity/Analytical Methods: >99.0%
57639-16-4 / 5-bromo-3-phenyl-1H-indazole
Basic Information
CAS
57639-16-4
Multi CAS
Yes
Molecular Formula
BC13H9Rn2
Molecular Weight
273.130000
Exact Mass
271.994910
InChI
InChI=1S/C13H9BrN2/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKey
QXKKPVVOOWBLND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.23
TPSA
28.68
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
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
-
-
-
-
1-(1H-Indol-3-Yl)-2-Iodo-Ethanone
- CAS RN: 57642-05-4
- Product Code: starshine_CAS57642-05-4
- Purity/Analytical method: >99.0%
-
1-(3-Methoxybenzyl)piperidin-4-amine dihydrochloride
- CAS RN: 57645-53-1
- Product Code: SSC-165817
-
1-(4-methoxybenzyl)piperidin-4-amine hydrochloride
- CAS RN: 57645-54-2
- Product Code: starshine_CAS57645-54-2
- Purity/Analytical method: >99.0%
![CAS 57641-67-5 Ethanol, 2-[2-(2-bromoethoxy)ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57641-67-5.gif)
