![6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/847/847036-63-9.png)
6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 847036-63-9) is a chemical compound with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-azanylidene-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxidanylidene-N-(oxolan-2-ylmethyl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide, 2-imino-1-(4-methoxyphenethyl)-10-methyl-5-oxo-N-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c:1'',2''-f]pyrimidinecarboxamide, 2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(oxolan-2-ylmethyl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide
| Molecular Formula | C27H29N5O4 |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | 2.59719 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.22195 |
| Heavy Atoms | 36 |
| Complexity | 1549.5177 |
Chemical Identifiers
| CAS Number | 847036-63-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=C(C=C4)OC)C(=O)NCC5CCCO5 |
Product Overview
6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 847036-63-9), with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol. IUPAC: 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-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-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 2.59719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. Following Lipinski's Rule of Five, 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide 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 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 847036-63-9.
What is the molecular formula of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C27H29N5O4.
What is the molecular weight of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 487.22 g/mol.
Where can I buy 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
You can request a quote for 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]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-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.