![CAS 669764-18-5 1,3-Benzenediol, 4-[1-(2-propenyl)-7-(trifluoromethyl)-1H-indazol-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/669764-18-5.gif)
CAS RN: 669764-18-5
1,3-Benzenediol, 4-[1-(2-propenyl)-7-(trifluoromethyl)-1H-indazol-3-yl]-
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.20250531 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS669764-18-5
- Purity/Analytical Methods: >99.0%
669764-18-5 / 4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Basic Information
CAS
669764-18-5
Multi CAS
No
Molecular Formula
C17F3H13N2O2
Molecular Weight
334.290000
Exact Mass
334.092912
InChI
InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2
InChIKey
ZDUDMCQPFKPISO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.7
TPSA
58.28
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
4.2
Consensus LogP
4.11
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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