CAS RN: 845751-70-4
7-Bromo-2-methyl-2H-indazole-3-carbaldehyde
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.20250628 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS845751-70-4
- Purity/Analytical Methods: >99.0%
845751-70-4 / 7-bromo-2-methylindazole-3-carbaldehyde
Basic Information
CAS
845751-70-4
Multi CAS
No
Molecular Formula
BC9H7ORn2
Molecular Weight
239.070000
Exact Mass
237.974180
InChI
InChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3
InChIKey
NSLRTSWDWSKOIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.8
TPSA
34.89
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.65
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 845781-54-6 5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID
- CAS RN: 845781-54-6
- Product Code: starshine_CAS845781-54-6
- Purity/Analytical method: >99.0%
-
-
-
5-(5-CHLORO-2-THIENYL)-5-OXOVALERIC ACID
- CAS RN: 845790-40-1
- Product Code: starshine_CAS845790-40-1
- Purity/Analytical method: >99.0%
-
(4-Cyclobutylphenyl)boronic acid
- CAS RN: 845797-74-2
- Product Code: starshine_CAS845797-74-2
- Purity/Analytical method: >99.0%
-
(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YL)-ACETIC ACID
- CAS RN: 845808-92-6
- Product Code: SSC-192123
![CAS 845781-54-6 5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/845781-54-6.gif)
