2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide
TL;DR: 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide (CAS 848727-88-8) is a chemical compound with molecular formula C27H29FN6O3 and molecular weight 504.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-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: 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide, N-(4-fluorobenzyl)-2-imino-10-methyl-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(4-fluorobenzyl)-2-imino-10-methyl-1-[3-(morpholin-4-yl)propyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H29FN6O3 |
|---|---|
| Molecular Weight | 504.23 g/mol |
| LogP | 2.22849 |
| Topological Polar Surface Area | 104.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.22852 |
| Heavy Atoms | 37 |
| Complexity | 1572.1641 |
Chemical Identifiers
| CAS Number | 848727-88-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC=C(C=C5)F |
Product Overview
2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide (CAS 848727-88-8), with molecular formula C27H29FN6O3 and molecular weight 504.23 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-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 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide
Property Insights of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide
The XLogP value of 2.22849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide. The TPSA of 104.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide. Following Lipinski's Rule of Five, 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide?
The CAS number of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide is 848727-88-8.
What is the molecular formula of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide?
The molecular formula of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide is C27H29FN6O3.
What is the molecular weight of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide?
The molecular weight of 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide is 504.23 g/mol.
Where can I buy 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide?
You can request a quote for 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic 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-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-8-methyl-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carb oxylic acid 4-fluoro-benzylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.