![(2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate structure](/static/products/121/1212467-87-2.png)
(2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate
TL;DR: (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate (CAS 1212467-87-2) is a chemical compound with molecular formula C26H25NO5 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1S,9R)-10-ethyl-11-methyl-9-(2-oxochromen-3-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate
Also Known As: (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate, ethyl (2R,6S)-3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
| Molecular Formula | C26H25NO5 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 4.6847 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.17328 |
| Heavy Atoms | 32 |
| Complexity | 1306.8152 |
Chemical Identifiers
| CAS Number | 1212467-87-2 |
|---|---|
| SMILES | CCN1C(=C([C@H]2C[C@@]1(OC3=CC=CC=C23)C4=CC5=CC=CC=C5OC4=O)C(=O)OCC)C |
Product Overview
(2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate (CAS 1212467-87-2), with molecular formula C26H25NO5 and molecular weight 431.17 g/mol. IUPAC: ethyl (1S,9R)-10-ethyl-11-methyl-9-(2-oxochromen-3-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate.
Chemical Property Profile of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate
Property Insights of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate
The XLogP value of 4.6847 indicates that (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate. Following Lipinski's Rule of Five, (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate?
The CAS number of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate is 1212467-87-2.
What is the molecular formula of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate?
The molecular formula of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate is C26H25NO5.
What is the molecular weight of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate?
The molecular weight of (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate is 431.17 g/mol.
Where can I buy (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate?
You can request a quote for (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2R,6S)-ethyl 3-ethyl-4-methyl-2-(2-oxo-2H-chromen-3-yl)-3,6-dihydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.