CAS RN: 1207175-55-0
ethyl 2-(3-(benzylaMino)oxetan-3-yl)acetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250202 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1207175-55-0
- Purity/Analytical Methods: >99.0%
1207175-55-0 / ethyl 2-[3-(benzylamino)oxetan-3-yl]acetate
ETHYL 2-(3-(BENZYLAMINO)OXETAN-3-YL)ACETATE | ETHYL 2-[3-(BENZYLAMINO)OXETAN-3-YL]ACETATE | MFCD14586439
Basic Information
CAS
1207175-55-0
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
CCOC(=O)CC1(COC1)NCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c1-2-18-13(16)8-14(10-17-11-14)15-9-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKey
UNDXXTHRTOJMJR-UHFFFAOYSA-N
Synonyms
ETHYL 2-(3-(BENZYLAMINO)OXETAN-3-YL)ACETATE
ETHYL 2-[3-(BENZYLAMINO)OXETAN-3-YL]ACETATE
MFCD14586439
SCHEMBL29131605
DTXSID40745988
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.08
TPSA
47.56
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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