11R-0222
TL;DR: 11R-0222 (CAS 477709-42-5) is a chemical compound with molecular formula C16H18BrFN2O2S and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-fluorophenyl)-7-methyl-2,3,5,8-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate bromide
Also Known As: 11R-0222, 6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide, ethyl 5-(4-fluorophenyl)-7-methyl-2,3,5,8-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate bromide, ethyl 5-(4-fluorophenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate hydrobromide
| Molecular Formula | C16H18BrFN2O2S |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | -0.5736 |
| Topological Polar Surface Area | 41.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.02563 |
| Heavy Atoms | 23 |
| Complexity | 673.1627 |
Chemical Identifiers
| CAS Number | 477709-42-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=[N+](C1C3=CC=C(C=C3)F)CCS2)C.[Br-] |
Product Overview
11R-0222 (CAS 477709-42-5), with molecular formula C16H18BrFN2O2S and molecular weight 400.03 g/mol. IUPAC: ethyl 5-(4-fluorophenyl)-7-methyl-2,3,5,8-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate bromide.
Chemical Property Profile of 11R-0222
Property Insights of 11R-0222
The XLogP value of -0.5736 indicates that 11R-0222 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.34 Ų, 11R-0222 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11R-0222 has 1 hydrogen bond donor(s) and 4 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 11R-0222?
The CAS number of 11R-0222 is 477709-42-5.
What is the molecular formula of 11R-0222?
The molecular formula of 11R-0222 is C16H18BrFN2O2S.
What is the molecular weight of 11R-0222?
The molecular weight of 11R-0222 is 400.03 g/mol.
Where can I buy 11R-0222?
You can request a quote for 11R-0222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0222?
Yes, KEHONG BIO provides custom synthesis services for 11R-0222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.