RefChem:554844
TL;DR: RefChem:554844 (CAS 609794-32-3) is a chemical compound with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 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: BAS 06259658, ALLYL 8-METHYL-4-OXO-6-(3,4,5-TRIMETHOXYPHENYL)-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE, 645-813-7, ALLYL 8-METHYL-4-OXO-6-(3,4,5-TRIMETHOXYPHENYL)-3,4-DIHYDRO-2H,6H-PYRIMIDO(2,1-B)(1,3)THIAZINE-7-CARBOXYLATE, PROP-2-EN-1-YL 8-METHYL-4-OXO-6-(3,4,5-TRIMETHOXYPHENYL)-2H,3H,4H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
| Molecular Formula | C21H24N2O6S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 3.0918 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.1355 |
| Heavy Atoms | 30 |
| Complexity | 914.41943 |
Chemical Identifiers
| CAS Number | 609794-32-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC=C |
Product Overview
RefChem:554844 (CAS 609794-32-3), with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol. IUPAC: prop-2-enyl 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 RefChem:554844
Property Insights of RefChem:554844
The XLogP value of 3.0918 indicates that RefChem:554844 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 RefChem:554844. Following Lipinski's Rule of Five, RefChem:554844 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 RefChem:554844?
The CAS number of RefChem:554844 is 609794-32-3.
What is the molecular formula of RefChem:554844?
The molecular formula of RefChem:554844 is C21H24N2O6S.
What is the molecular weight of RefChem:554844?
The molecular weight of RefChem:554844 is 432.14 g/mol.
Where can I buy RefChem:554844?
You can request a quote for RefChem:554844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.