AF-399/40654044
TL;DR: AF-399/40654044 (CAS 379244-45-8) is a chemical compound with molecular formula C23H17N3O3S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 13-methyl-11-oxo-8-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaene-14-carboxylate
Also Known As: AF-399/40654044, ethyl 9-methyl-8-oxo-5-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazine-10-carboxylate, ethyl 13-methyl-11-oxo-8-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaene-14-carboxylate
| Molecular Formula | C23H17N3O3S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.60952 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.09906 |
| Heavy Atoms | 30 |
| Complexity | 1503.2948 |
Chemical Identifiers
| CAS Number | 379244-45-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C3C4=CC=CC=C4C(=NN3C2=O)C5=CC=CC=C5)C |
Product Overview
AF-399/40654044 (CAS 379244-45-8), with molecular formula C23H17N3O3S and molecular weight 415.10 g/mol. IUPAC: ethyl 13-methyl-11-oxo-8-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaene-14-carboxylate.
Chemical Property Profile of AF-399/40654044
Property Insights of AF-399/40654044
The XLogP value of 4.60952 indicates that AF-399/40654044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40654044. Following Lipinski's Rule of Five, AF-399/40654044 has 0 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-399/40654044?
The CAS number of AF-399/40654044 is 379244-45-8.
What is the molecular formula of AF-399/40654044?
The molecular formula of AF-399/40654044 is C23H17N3O3S.
What is the molecular weight of AF-399/40654044?
The molecular weight of AF-399/40654044 is 415.10 g/mol.
Where can I buy AF-399/40654044?
You can request a quote for AF-399/40654044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654044?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.