2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-
TL;DR: 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- (CAS 67231-92-9) is a chemical compound with molecular formula C14H22N2O and molecular weight 234.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-phenylpropan-2-yl)-1,4,5-oxadiazocane
Also Known As: Nonyl 3-mercaptopropionate, 1-Phenyl-2-(hexahydro-1,4,5-oxadiazocino)propane, 4-(1-phenylpropan-2-yl)-1,4,5-oxadiazocane, Hexahydro-4-(1-methyl-2-phenylethyl)-2H-1,4,5-oxadiazocine, 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-
| Molecular Formula | C14H22N2O |
|---|---|
| Molecular Weight | 234.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.17322 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 67231-92-9 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)N2CCOCCCN2 |
| InChIKey | CYYQFEWHDSKIMF-UHFFFAOYSA-N |
Product Overview
2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- (CAS 67231-92-9), with molecular formula C14H22N2O and molecular weight 234.17 g/mol. IUPAC: 4-(1-phenylpropan-2-yl)-1,4,5-oxadiazocane.
Chemical Property Profile of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-
Property Insights of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-. With a topological polar surface area (TPSA) of 24.5 Ų, 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-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-(1-methyl-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-(1-methyl-2-phenylethyl)-?
The CAS number of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- is 67231-92-9.
What is the molecular formula of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-?
The molecular formula of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- is C14H22N2O.
What is the molecular weight of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-?
The molecular weight of 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- is 234.17 g/mol.
Where can I buy 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)-?
You can request a quote for 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-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-(1-methyl-2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4,5-Oxadiazocine, hexahydro-4-(1-methyl-2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.