AF-399/41083805
TL;DR: AF-399/41083805 (CAS 134478-40-3) is a chemical compound with molecular formula C18H15N3OS and molecular weight 321.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
20-methyl-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Also Known As: AF-399/41083805, 5-methyl-9,10,11,12-tetrahydro-8H-benzo[4',5']thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, F1441-0279, 20-methyl-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one, 20-methyl-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Technical Specifications
| Molecular Formula | C18H15N3OS |
| Molecular Weight | 321.0936 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.0936 Da |
| Heavy Atoms | 23 |
| Complexity | 601.0 |
| SMILES | CC1=NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C5=CC=CC=C15 |
| InChIKey | GZPOMXVLBDAPMF-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/41083805
Property Insights of AF-399/41083805
The XLogP value of 3.6 indicates that AF-399/41083805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41083805. Following Lipinski's Rule of Five, AF-399/41083805 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AF-399/41083805?
The CAS number of AF-399/41083805 is 134478-40-3.
What is the molecular formula of AF-399/41083805?
The molecular formula of AF-399/41083805 is C18H15N3OS.
What is the molecular weight of AF-399/41083805?
The molecular weight of AF-399/41083805 is 321.0936 g/mol.
Where can I buy AF-399/41083805?
You can request a quote for AF-399/41083805 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/41083805?
Yes, CoreyChem provides custom synthesis services for AF-399/41083805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.