CAS RN: 1082040-12-7
5-Iodo-4-methyl-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.20250216 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1082040-12-7
- Purity/Analytical Methods: >99.0%
1082040-12-7 / 5-iodo-4-methyl-1H-indazole
5-iodo-4-methyl-1h-indazole | MFCD11007977 | 4-Methyl-5-iodo-(1H)indazole
Basic Information
CAS
1082040-12-7
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=C(C=CC2=C1C=NN2)I
InChI
InChI=1S/C8H7IN2/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
MTEVJKIZALCPJY-UHFFFAOYSA-N
Synonyms
5-iodo-4-methyl-1h-indazole
MFCD11007977
4-Methyl-5-iodo-(1H)indazole
SCHEMBL23464679
AKOS027253478
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.55
TPSA
28.68
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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