![1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate structure](/static/products/4740/474089-65-1.webp)
1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate
TL;DR: 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate (CAS 474089-65-1) is a chemical compound with molecular formula C23H23NO5 and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate
Also Known As: 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate, 1-oxo-1-phenylpropan-2-yl 2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, 1-oxo-1-phenylpropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
| Molecular Formula | C23H23NO5 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 2.2426 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15762 |
| Heavy Atoms | 29 |
| Complexity | 901.8464 |
Chemical Identifiers
| CAS Number | 474089-65-1 |
|---|---|
| SMILES | CC(C(=O)OC(C)C(=O)C1=CC=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate (CAS 474089-65-1), with molecular formula C23H23NO5 and molecular weight 393.16 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate.
Chemical Property Profile of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate
Property Insights of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate
The XLogP value of 2.2426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate. Following Lipinski's Rule of Five, 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate has 0 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 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate?
The CAS number of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate is 474089-65-1.
What is the molecular formula of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate?
The molecular formula of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate is C23H23NO5.
What is the molecular weight of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate?
The molecular weight of 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate is 393.16 g/mol.
Where can I buy 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate?
You can request a quote for 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.