AF-399/41725099
TL;DR: AF-399/41725099 (CAS 608104-18-3) is a chemical compound with molecular formula C25H21N7O2 and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AF-399/41725099, AB00686364-01, 6-Imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, [2-imino-10-methyl-5-oxo-1-(4-pyridylmethyl)(1,6-dihydropyridino[2,3-d]pyridin o[1,2-a]pyrimidin-3-yl)]-N-(3-pyridylmethyl)carboxamide, 2-imino-10-methyl-5-oxo-N-(3-pyridinylmethyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H21N7O2 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 2.20539 |
| Topological Polar Surface Area | 118.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.17566 |
| Heavy Atoms | 34 |
| Complexity | 1641.7366 |
Chemical Identifiers
| CAS Number | 608104-18-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=NC=C4)C(=O)NCC5=CN=CC=C5 |
Product Overview
AF-399/41725099 (CAS 608104-18-3), with molecular formula C25H21N7O2 and molecular weight 451.18 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AF-399/41725099
Property Insights of AF-399/41725099
The XLogP value of 2.20539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41725099. The TPSA of 118.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41725099. Following Lipinski's Rule of Five, AF-399/41725099 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 AF-399/41725099?
The CAS number of AF-399/41725099 is 608104-18-3.
What is the molecular formula of AF-399/41725099?
The molecular formula of AF-399/41725099 is C25H21N7O2.
What is the molecular weight of AF-399/41725099?
The molecular weight of AF-399/41725099 is 451.18 g/mol.
Where can I buy AF-399/41725099?
You can request a quote for AF-399/41725099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41725099?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41725099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.