3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
TL;DR: 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one (CAS 687580-38-7) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Also Known As: ChemDiv3_008405, IDI1_026315, AB00441203-05, F2693-0051, BRD-A74548204-001-01-8
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 3.4518 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 716.0369 |
Chemical Identifiers
| CAS Number | 687580-38-7 |
|---|---|
| SMILES | CC12CC(C3=CC=CC=C3O1)NC(=O)N2CC4=CC=CC=C4 |
Product Overview
3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one (CAS 687580-38-7), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
Chemical Property Profile of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Property Insights of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
The XLogP value of 3.4518 indicates that 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one has 1 hydrogen bond donor(s) and 2 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 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The CAS number of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is 687580-38-7.
What is the molecular formula of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The molecular formula of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is C18H18N2O2.
What is the molecular weight of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The molecular weight of 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is 294.14 g/mol.
Where can I buy 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
You can request a quote for 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.