CAS RN: 1337880-77-9
7-AMINO-3-IODO-1-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.20260308 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1337880-77-9
- Purity/Analytical Methods: >99.0%
1337880-77-9 / 3-iodo-1-methylindazol-7-amine
Basic Information
CAS
1337880-77-9
Multi CAS
No
Molecular Formula
C8H8IN3
Molecular Weight
273.070000
Exact Mass
272.976290
SMILES
CN1C2=C(C=CC=C2N)C(=N1)I
InChI
InChI=1S/C8H8IN3/c1-12-7-5(8(9)11-12)3-2-4-6(7)10/h2-4H,10H2,1H3
InChIKey
RDDYTAQHKWXDLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.84
TPSA
43.84
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
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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