![3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid structure](/static/products/6568/656819-54-4.webp)
3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
TL;DR: 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid (CAS 656819-54-4) is a chemical compound with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-ethoxyphenyl)carbamoylamino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoic acid
Also Known As: 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
| Molecular Formula | C27H28N4O5 |
|---|---|
| Molecular Weight | 488.21 g/mol |
| LogP | 4.2129 |
| Topological Polar Surface Area | 112.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.20596 |
| Heavy Atoms | 36 |
| Complexity | 1351.0151 |
Chemical Identifiers
| CAS Number | 656819-54-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 |
Product Overview
3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid (CAS 656819-54-4), with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol. IUPAC: 3-[(4-ethoxyphenyl)carbamoylamino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoic acid.
Chemical Property Profile of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Property Insights of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
The XLogP value of 4.2129 indicates that 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid has 3 hydrogen bond donor(s) and 5 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-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid?
The CAS number of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid is 656819-54-4.
What is the molecular formula of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid?
The molecular formula of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid is C27H28N4O5.
What is the molecular weight of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid?
The molecular weight of 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid is 488.21 g/mol.
Where can I buy 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid?
You can request a quote for 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(4-Ethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.