AF-399/41899114
TL;DR: AF-399/41899114 (CAS 609793-76-2) is a chemical compound with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: AF-399/41899114, 2-methylpropyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-methylpropyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-methylpropyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, isobutyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.5532 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 877.82245 |
Chemical Identifiers
| CAS Number | 609793-76-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OC)OC)C(=O)OCC(C)C |
Product Overview
AF-399/41899114 (CAS 609793-76-2), with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol. IUPAC: 2-methylpropyl 6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of AF-399/41899114
Property Insights of AF-399/41899114
The XLogP value of 3.5532 indicates that AF-399/41899114 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-399/41899114. Following Lipinski's Rule of Five, AF-399/41899114 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-399/41899114?
The CAS number of AF-399/41899114 is 609793-76-2.
What is the molecular formula of AF-399/41899114?
The molecular formula of AF-399/41899114 is C21H26N2O5S.
What is the molecular weight of AF-399/41899114?
The molecular weight of AF-399/41899114 is 418.16 g/mol.
Where can I buy AF-399/41899114?
You can request a quote for AF-399/41899114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899114?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.