2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-
TL;DR: 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- (CAS 67231-91-8) is a chemical compound with molecular formula C13H20N2O and molecular weight 220.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethyl)-1,4,5-oxadiazocane
Also Known As: 4-phenethyl-1,4,5-oxadiazocane, 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-, Hexahydro-4-(2-phenylethyl)-2H-1,4,5-oxadiazocine, 1-Phenyl-2-(hexahydro-1,4,5-oxadiazocino)ethane, 1-Fenylo-2-(heksahydro-1,4,5-oksadiazocyno)-ethanu
| Molecular Formula | C13H20N2O |
|---|---|
| Molecular Weight | 220.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.15756 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 67231-91-8 |
|---|---|
| SMILES | C1CNN(CCOC1)CCC2=CC=CC=C2 |
| InChIKey | OBLODUDFSGSWPC-UHFFFAOYSA-N |
Product Overview
2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- (CAS 67231-91-8), with molecular formula C13H20N2O and molecular weight 220.16 g/mol. IUPAC: 4-(2-phenylethyl)-1,4,5-oxadiazocane.
Chemical Property Profile of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-
Property Insights of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-. With a topological polar surface area (TPSA) of 24.5 Ų, 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- 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 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-?
The CAS number of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- is 67231-91-8.
What is the molecular formula of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-?
The molecular formula of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- is C13H20N2O.
What is the molecular weight of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-?
The molecular weight of 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- is 220.16 g/mol.
Where can I buy 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-?
You can request a quote for 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4,5-Oxadiazocine, hexahydro-4-(2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.