![N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/848/848674-03-3.png)
N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 848674-03-3) is a chemical compound with molecular formula C23H30N6O3 and molecular weight 438.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-butyl-2-imino-10-methyl-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-butyl-2-imino-10-methyl-1-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C23H30N6O3 |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.23795 |
| Heavy Atoms | 32 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 848674-03-3 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCN4CCOCC4 |
| InChIKey | VHJJCZMILNGKLL-UHFFFAOYSA-N |
Product Overview
N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 848674-03-3), with molecular formula C23H30N6O3 and molecular weight 438.24 g/mol. IUPAC: N-butyl-6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-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 N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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, N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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 N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 848674-03-3.
What is the molecular formula of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C23H30N6O3.
What is the molecular weight of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 438.24 g/mol.
Where can I buy N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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 N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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 N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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 N-butyl-6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-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.