2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide
TL;DR: 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide (CAS 850802-89-0) is a chemical compound with molecular formula C25H19FN6O2 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide, 2-azanylidene-N-[(4-fluorophenyl)methyl]-5-oxidanylidene-1-(pyridin-3-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide, N-(4-fluorobenzyl)-2-imino-5-keto-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, N-(4-fluorobenzyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H19FN6O2 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 2.64107 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.15536 |
| Heavy Atoms | 34 |
| Complexity | 1642.8783 |
Chemical Identifiers
| CAS Number | 850802-89-0 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F)C(=O)N2C=C1 |
Product Overview
2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide (CAS 850802-89-0), with molecular formula C25H19FN6O2 and molecular weight 454.16 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide
Property Insights of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide
The XLogP value of 2.64107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide. Following Lipinski's Rule of Five, 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide has 2 hydrogen bond donor(s) and 5 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 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide?
The CAS number of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide is 850802-89-0.
What is the molecular formula of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide?
The molecular formula of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide is C25H19FN6O2.
What is the molecular weight of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide?
The molecular weight of 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide is 454.16 g/mol.
Where can I buy 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide?
You can request a quote for 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid 4-fluoro-benzylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.