1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))
TL;DR: 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) (CAS 51430-98-9) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-prop-1-enyl]-3H-1,3,4-oxadiazol-2-one
Also Known As: J3.405.617J, 5-(1-propen-1-yl)-1,3,4-oxadiazol-2(3H)-one, 5-[(E)-prop-1-enyl]-3H-1,3,4-oxadiazol-2-one, 1,3,4-OXADIAZOLINE,2-ONE,5-(1-PROPENYL (TRANS)), 1,3,4-oxadiazol-2(3H)-one, 5-[(1E)-1-propenyl]-
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 51430-98-9 |
|---|---|
| SMILES | C/C=C/C1=NNC(=O)O1 |
| InChIKey | DBFXLCXYRYAAJX-NSCUHMNNSA-N |
Product Overview
1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) (CAS 51430-98-9), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 5-[(E)-prop-1-enyl]-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))
Property Insights of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)). With a topological polar surface area (TPSA) of 50.7 Ų, 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))?
The CAS number of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) is 51430-98-9.
What is the molecular formula of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))?
The molecular formula of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) is C5H6N2O2.
What is the molecular weight of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))?
The molecular weight of 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) is 126.04 g/mol.
Where can I buy 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))?
You can request a quote for 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans))?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.