CAS RN: 885279-07-2
METHYL 6-CYANO-1H-INDAZOLE-3-CARBOXYLATE
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.20250816 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885279-07-2
- Purity/Analytical Methods: >99.0%
885279-07-2 / methyl 6-cyano-1H-indazole-3-carboxylate
Basic Information
CAS
885279-07-2
Multi CAS
No
Molecular Formula
C10H7N3O2
Molecular Weight
201.180000
Exact Mass
201.053826
InChI
InChI=1S/C10H7N3O2/c1-15-10(14)9-7-3-2-6(5-11)4-8(7)12-13-9/h2-4H,1H3,(H,12,13)
InChIKey
VDOGUWNGTCDAER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.15
TPSA
78.77
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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