![CAS 308085-25-8 2-Hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/308085-25-8.gif)
CAS RN: 308085-25-8
2-Hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzaldehyde
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.20251022 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS308085-25-8
- Purity/Analytical Methods: >99.0%
308085-25-8 / 2-hydroxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzaldehyde
Basic Information
CAS
308085-25-8
Multi CAS
No
Molecular Formula
C9F3H5N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-2-1-5(4-15)7(16)3-6/h1-4,16H
InChIKey
BHQFZXNSVZPFNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.08
TPSA
62.02
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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