![6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/846/846597-84-0.png)
6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 846597-84-0) is a chemical compound with molecular formula C28H32N6O4 and molecular weight 516.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-azanylidene-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 2-imino-5-keto-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholinopropyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 2-imino-N-(4-methoxyphenethyl)-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)-5-oxodipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide
| Molecular Formula | C28H32N6O4 |
|---|---|
| Molecular Weight | 516.25 g/mol |
| LogP | 1.83207 |
| Topological Polar Surface Area | 113.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.2485 |
| Heavy Atoms | 38 |
| Complexity | 1554.4524 |
Chemical Identifiers
| CAS Number | 846597-84-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5 |
Product Overview
6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 846597-84-0), with molecular formula C28H32N6O4 and molecular weight 516.25 g/mol. IUPAC: 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 1.83207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 113.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. Following Lipinski's Rule of Five, 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 846597-84-0.
What is the molecular formula of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C28H32N6O4.
What is the molecular weight of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 516.25 g/mol.
Where can I buy 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
You can request a quote for 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.