10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
TL;DR: 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione (CAS 702655-70-7) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
Also Known As: 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione, 6-Methoxy-9-methyl-10-phenyl-8-oxa-10,12-diaza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-triene-11-thione, 6-methoxy-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.6297 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 764.8718 |
Chemical Identifiers
| CAS Number | 702655-70-7 |
|---|---|
| SMILES | CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=CC=C4 |
Product Overview
10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione (CAS 702655-70-7), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 6-methoxy-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione.
Chemical Property Profile of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Property Insights of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
The XLogP value of 3.6297 indicates that 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.73 Ų, 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione 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 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The CAS number of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 702655-70-7.
What is the molecular formula of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular formula of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is C18H18N2O2S.
What is the molecular weight of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular weight of 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 326.11 g/mol.
Where can I buy 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
You can request a quote for 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 10-methoxy-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.