![7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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/893/893698-84-5.png)
7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 893698-84-5) is a chemical compound with molecular formula C20H16ClN5O2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 1-(4-chlorobenzyl)-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(4-chlorobenzyl)-2-imino-N-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C20H16ClN5O2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 2.18997 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.09924 |
| Heavy Atoms | 28 |
| Complexity | 1339.3083 |
Chemical Identifiers
| CAS Number | 893698-84-5 |
|---|---|
| SMILES | CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=C(C=C4)Cl |
Product Overview
7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 893698-84-5), with molecular formula C20H16ClN5O2 and molecular weight 393.10 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 2.18997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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, 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 4 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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 893698-84-5.
What is the molecular formula of 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C20H16ClN5O2.
What is the molecular weight of 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 393.10 g/mol.
Where can I buy 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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 7-[(4-chlorophenyl)methyl]-6-imino-N-methyl-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.