CAS RN: 1585214-21-6
Inz-5
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.20250823 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1585214-21-6
- Purity/Analytical Methods: >99.0%
1585214-21-6 / 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole
Basic Information
CAS
1585214-21-6
Multi CAS
No
Molecular Formula
C18H14F4N6
Molecular Weight
390.300000
Exact Mass
390.121607
SMILES
CC1=C2C(=CC=C1)C(=NN2CC3=NN(N=N3)C)C4=C(C=CC(=C4)C(F)(F)F)F
InChI
InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3
InChIKey
MMEFXWUINPSTPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
92.77
TPSA
61.42
LogP / Solubility
WLOGP
3.74
MLOGP
3.32
XLogP3
4.4
Consensus LogP
3.82
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1585988-92-6 “(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-5-oxide-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1585988-92-6.gif)
