RefChem:791604
TL;DR: RefChem:791604 (CAS 609795-85-9) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 6-(3-acetyloxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: isobutyl 6-[3-(acetyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-methylpropyl 6-(3-acetyloxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-METHYLPROPYL 6-[3-(ACETYLOXY)PHENYL]-8-METHYL-4-OXO-2H,3H,4H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE, 2-methylpropyl 6-[3-(acetyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 646-050-2
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.4613 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 906.08746 |
Chemical Identifiers
| CAS Number | 609795-85-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)OC(=O)C)C(=O)OCC(C)C |
Product Overview
RefChem:791604 (CAS 609795-85-9), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: 2-methylpropyl 6-(3-acetyloxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of RefChem:791604
Property Insights of RefChem:791604
The XLogP value of 3.4613 indicates that RefChem:791604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:791604. Following Lipinski's Rule of Five, RefChem:791604 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 RefChem:791604?
The CAS number of RefChem:791604 is 609795-85-9.
What is the molecular formula of RefChem:791604?
The molecular formula of RefChem:791604 is C21H24N2O5S.
What is the molecular weight of RefChem:791604?
The molecular weight of RefChem:791604 is 416.14 g/mol.
Where can I buy RefChem:791604?
You can request a quote for RefChem:791604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:791604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:791604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.