AF-399/41899468
TL;DR: AF-399/41899468 (CAS 618080-37-8) is a chemical compound with molecular formula C25H26N2O5S and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-(4-ethoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: AF-399/41899468, benzyl 6-(4-ethoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, benzyl 6-(4-ethoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, benzyl 6-(4-ethoxy-3-methoxyphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C25H26N2O5S |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 4.4875 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.15625 |
| Heavy Atoms | 33 |
| Complexity | 1113.0353 |
Chemical Identifiers
| CAS Number | 618080-37-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC4=CC=CC=C4)OC |
Product Overview
AF-399/41899468 (CAS 618080-37-8), with molecular formula C25H26N2O5S and molecular weight 466.16 g/mol. IUPAC: benzyl 6-(4-ethoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of AF-399/41899468
Property Insights of AF-399/41899468
The XLogP value of 4.4875 indicates that AF-399/41899468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41899468. Following Lipinski's Rule of Five, AF-399/41899468 has 0 hydrogen bond donor(s) and 7 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-399/41899468?
The CAS number of AF-399/41899468 is 618080-37-8.
What is the molecular formula of AF-399/41899468?
The molecular formula of AF-399/41899468 is C25H26N2O5S.
What is the molecular weight of AF-399/41899468?
The molecular weight of AF-399/41899468 is 466.16 g/mol.
Where can I buy AF-399/41899468?
You can request a quote for AF-399/41899468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899468?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.