![10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide structure](/static/products/3213/321392-10-3.webp)
10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide
TL;DR: 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide (CAS 321392-10-3) is a chemical compound with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3,4-dimethoxyphenyl)ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxamide
Also Known As: 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide, 10-[2-(3,4-dimethoxyphenyl)ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxamide, 10-[2-(3,4-dimethoxyphenyl)ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxamide
| Molecular Formula | C21H23N3O6 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 0.3535 |
| Topological Polar Surface Area | 120.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.1587 |
| Heavy Atoms | 30 |
| Complexity | 975.4884 |
Chemical Identifiers
| CAS Number | 321392-10-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C(=O)N)OC |
Product Overview
10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide (CAS 321392-10-3), with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol. IUPAC: 10-[2-(3,4-dimethoxyphenyl)ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxamide.
Chemical Property Profile of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide
Property Insights of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide
The XLogP value of 0.3535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide. The TPSA of 120.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide. Following Lipinski's Rule of Five, 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide?
The CAS number of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide is 321392-10-3.
What is the molecular formula of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide?
The molecular formula of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide is C21H23N3O6.
What is the molecular weight of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide?
The molecular weight of 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide is 413.16 g/mol.
Where can I buy 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide?
You can request a quote for 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 10-(3,4-dimethoxyphenethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.