CAS RN: 345975-15-7
(R)-2-((2-NITROPHENOXY)METHYL)OXIRANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS345975-15-7
- Purity/Analytical Methods: >99.0%
345975-15-7 / 2-[(2-nitrophenoxy)methyl]oxirane
Basic Information
CAS
345975-15-7
Multi CAS
Yes
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
InChI
InChI=1S/C9H9NO4/c11-10(12)8-3-1-2-4-9(8)14-6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKey
SMKKEOQDQNCTGL-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
48.33
TPSA
64.9
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.4
Consensus LogP
1.33
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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