![ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate structure](/static/products/121/1212452-07-7.png)
ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
TL;DR: ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate (CAS 1212452-07-7) is a chemical compound with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-3-[[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetyl]amino]-1H-indole-2-carboxylate
Also Known As: ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate, ethyl 5-methoxy-3-(2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)acetamido)-1H-indole-2-carboxylate
| Molecular Formula | C25H28N4O5 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 2.5727 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.20596 |
| Heavy Atoms | 34 |
| Complexity | 1310.3685 |
Chemical Identifiers
| CAS Number | 1212452-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CN3C[C@@H]4C[C@H](C3)C5=CC=CC(=O)N5C4 |
Product Overview
ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate (CAS 1212452-07-7), with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol. IUPAC: ethyl 5-methoxy-3-[[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Property Insights of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
The XLogP value of 2.5727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate has 2 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 ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate?
The CAS number of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate is 1212452-07-7.
What is the molecular formula of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate is C25H28N4O5.
What is the molecular weight of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate is 464.21 g/mol.
Where can I buy ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.