CAS RN: 1247001-59-7
1247001-59-7
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.20250228 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1247001-59-7
- Purity/Analytical Methods: >99.0%
1247001-59-7 / 1-benzyl-6-ethenylindazole
Basic Information
CAS
1247001-59-7
Multi CAS
No
Molecular Formula
C16H14N2
Molecular Weight
234.290000
Exact Mass
234.115698
SMILES
C=CC1=CC2=C(C=C1)C=NN2CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-2-13-8-9-15-11-17-18(16(15)10-13)12-14-6-4-3-5-7-14/h2-11H,1,12H2
InChIKey
LUCZZWKYCLNYKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.37
TPSA
17.82
LogP / Solubility
WLOGP
3.73
MLOGP
3.28
XLogP3
3.9
Consensus LogP
3.64
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
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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