CAS RN: 1373253-27-0
3-(3-Nitrophenoxy)azetidine hydrochloride
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.20250821 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1373253-27-0
- Purity/Analytical Methods: >99.0%
1373253-27-0 / 3-(3-nitrophenoxy)azetidine;hydrochloride
Basic Information
CAS
1373253-27-0
Multi CAS
No
Molecular Formula
C9H11ClN2O3
Molecular Weight
230.650000
Exact Mass
230.045820
SMILES
C1C(CN1)OC2=CC=CC(=C2)[N+](=O)[O-].Cl
InChI
InChI=1S/C9H10N2O3.ClH/c12-11(13)7-2-1-3-8(4-7)14-9-5-10-6-9;/h1-4,9-10H,5-6H2;1H
InChIKey
BFAQZXWPBYVTJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.63
TPSA
64.4
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.16
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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