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CAS RN: 371213-22-8
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)naphthalen-1-ol
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.20260213 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS371213-22-8
- Purity/Analytical Methods: >99.0%
371213-22-8 / 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]naphthalen-1-ol
Basic Information
CAS
371213-22-8
Multi CAS
No
Molecular Formula
C21H18N2O3
Molecular Weight
346.400000
Exact Mass
346.131742
InChI
InChI=1S/C21H18N2O3/c1-25-19-10-8-14(11-20(19)26-2)17-12-18(23-22-17)16-9-7-13-5-3-4-6-15(13)21(16)24/h3-12,24H,1-2H3,(H,22,23)
InChIKey
ICXLGEZBHYTHDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
101.73
TPSA
67.37
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
4.4
Consensus LogP
4.37
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
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)
-1.55
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 371242-69-2 2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/371242-69-2(2).gif)
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