AF-399/42864267
TL;DR: AF-399/42864267 (CAS 720672-39-9) is a chemical compound with molecular formula C27H23N5O2 and molecular weight 449.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-(3-methylphenyl)-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AF-399/42864267, 6-Imino-N-(3-methylphenyl)-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-N-(3-methylphenyl)-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N-(3-methylphenyl)-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H23N5O2 |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 3.93209 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.18518 |
| Heavy Atoms | 34 |
| Complexity | 1651.7428 |
Chemical Identifiers
| CAS Number | 720672-39-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC=CC=C5 |
Product Overview
AF-399/42864267 (CAS 720672-39-9), with molecular formula C27H23N5O2 and molecular weight 449.19 g/mol. IUPAC: 6-imino-N-(3-methylphenyl)-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AF-399/42864267
Property Insights of AF-399/42864267
The XLogP value of 3.93209 indicates that AF-399/42864267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42864267. Following Lipinski's Rule of Five, AF-399/42864267 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 AF-399/42864267?
The CAS number of AF-399/42864267 is 720672-39-9.
What is the molecular formula of AF-399/42864267?
The molecular formula of AF-399/42864267 is C27H23N5O2.
What is the molecular weight of AF-399/42864267?
The molecular weight of AF-399/42864267 is 449.19 g/mol.
Where can I buy AF-399/42864267?
You can request a quote for AF-399/42864267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42864267?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42864267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.