Oxetane-3-carbaldehyde
CAS No.：
Cat. No.: SC251122
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Oxetane-3-carbaldehyde
Cat. No.: :SC251122
Purity / Specification :—
CAS No. :1305207-52-6
MDL No. :MFCD21604173
Molecular Formula :C4H6O2
LogP :-0.70
Molecular Weight :86.09
TPSA :26.3
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=CC1COC1
Melting Point :—
InChI Key : :FYCBRGMZDWYEHI-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 86.1 Da
LogP ≤ 5✓ -0.70
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i43/100
Fragment / low drug-likeness
Predicted LogP
i-0.70log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.3Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.