RefChem:816689
TL;DR: RefChem:816689 (CAS 617696-66-9) is a chemical compound with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 644-385-9, methyl 5(4bromophenyl)2ethyl7methyl3oxo2,3dihydro5h[1,3]thiazolo[3,2a]pyrimidine6carboxylate, METHYL 5-(4-BROMOPHENYL)-2-ETHYL-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C17H17BrN2O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.6608 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.01434 |
| Heavy Atoms | 24 |
| Complexity | 757.60406 |
Chemical Identifiers
| CAS Number | 617696-66-9 |
|---|---|
| SMILES | CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)Br |
Product Overview
RefChem:816689 (CAS 617696-66-9), with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol. IUPAC: methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:816689
Property Insights of RefChem:816689
The XLogP value of 3.6608 indicates that RefChem:816689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, RefChem:816689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:816689 has 0 hydrogen bond donor(s) and 5 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:816689?
The CAS number of RefChem:816689 is 617696-66-9.
What is the molecular formula of RefChem:816689?
The molecular formula of RefChem:816689 is C17H17BrN2O3S.
What is the molecular weight of RefChem:816689?
The molecular weight of RefChem:816689 is 408.01 g/mol.
Where can I buy RefChem:816689?
You can request a quote for RefChem:816689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:816689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:816689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.