10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
TL;DR: 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione (CAS 702655-92-3) is a chemical compound with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-10-(4-ethylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
Also Known As: 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione, 6-ethoxy-10-(4-ethylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
| Molecular Formula | C21H24N2O2S |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 4.5822 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.15585 |
| Heavy Atoms | 26 |
| Complexity | 836.4048 |
Chemical Identifiers
| CAS Number | 702655-92-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=S)NC3CC2(OC4=C3C=CC=C4OCC)C |
Product Overview
10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione (CAS 702655-92-3), with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol. IUPAC: 6-ethoxy-10-(4-ethylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione.
Chemical Property Profile of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Property Insights of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
The XLogP value of 4.5822 indicates that 10-ethoxy-3-(4-ethylphenyl)-2-methyl-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-ethoxy-3-(4-ethylphenyl)-2-methyl-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-ethoxy-3-(4-ethylphenyl)-2-methyl-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-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The CAS number of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 702655-92-3.
What is the molecular formula of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular formula of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is C21H24N2O2S.
What is the molecular weight of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular weight of 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 368.16 g/mol.
Where can I buy 10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
You can request a quote for 10-ethoxy-3-(4-ethylphenyl)-2-methyl-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-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 10-ethoxy-3-(4-ethylphenyl)-2-methyl-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.