![isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate structure](/static/products/6097/609794-33-4.webp)
isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
TL;DR: isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CAS 609794-33-4) is a chemical compound with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-METHYLPROPYL 8-METHYL-4-OXO-6-(3,4,5-TRIMETHOXYPHENYL)-2H,3H,4H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE, 2-methylpropyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 2-methylpropyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 645-810-0
| Molecular Formula | C22H28N2O6S |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 3.5618 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1668 |
| Heavy Atoms | 31 |
| Complexity | 914.92395 |
Chemical Identifiers
| CAS Number | 609794-33-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC(C)C |
Product Overview
isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CAS 609794-33-4), with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol. IUPAC: 2-methylpropyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Property Insights of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
The XLogP value of 3.5618 indicates that isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.66 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate. Following Lipinski's Rule of Five, isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has 0 hydrogen bond donor(s) and 8 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 isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The CAS number of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is 609794-33-4.
What is the molecular formula of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The molecular formula of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is C22H28N2O6S.
What is the molecular weight of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The molecular weight of isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is 448.17 g/mol.
Where can I buy isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
You can request a quote for isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.