CAS RN: 152626-92-1
1-acetyl-5-bromo-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.20260303 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS152626-92-1
- Purity/Analytical Methods: >99.0%
152626-92-1 / 1-(5-bromoindazol-1-yl)ethanone
Basic Information
CAS
152626-92-1
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC(=O)N1C2=C(C=C(C=C2)Br)C=N1
InChI
InChI=1S/C9H7BrN2O/c1-6(13)12-9-3-2-8(10)4-7(9)5-11-12/h2-5H,1H3
InChIKey
IFPRNHHJTZSJAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
53.73
TPSA
34.89
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.43
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
-
7-METHYL-2-PROPYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 152628-00-7
- Product Code: starshine_CAS152628-00-7
- Purity/Analytical method: >99.0%
-
1-Pyrrolidinecarboxylicacid,4-amino-2-methyl-,1,1-dimethylethylester,(2S-trans)-(9CI)
- CAS RN: 152673-32-0
- Product Code: SSC-062415
-
-
-
TLK117
- CAS RN: 152684-53-2
- Product Code: starshine_CAS152684-53-2
- Purity/Analytical method: >99.0%
-
hemorphin 7
- CAS RN: 152685-85-3
- Product Code: starshine_CAS152685-85-3
- Purity/Analytical method: >99.0%
