AS-871/42094774
TL;DR: AS-871/42094774 (CAS 620553-05-1) is a chemical compound with molecular formula C19H21BrN2O4S and molecular weight 452.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5-bromo-2-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AS-871/42094774, ethyl 5-(5-bromo-2-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(5-bromo-2-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C19H21BrN2O4S |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 4.0595 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.04053 |
| Heavy Atoms | 27 |
| Complexity | 852.11145 |
Chemical Identifiers
| CAS Number | 620553-05-1 |
|---|---|
| SMILES | CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC)C3=C(C=CC(=C3)Br)OC |
Product Overview
AS-871/42094774 (CAS 620553-05-1), with molecular formula C19H21BrN2O4S and molecular weight 452.04 g/mol. IUPAC: ethyl 5-(5-bromo-2-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AS-871/42094774
Property Insights of AS-871/42094774
The XLogP value of 4.0595 indicates that AS-871/42094774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42094774. Following Lipinski's Rule of Five, AS-871/42094774 has 0 hydrogen bond donor(s) and 6 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 AS-871/42094774?
The CAS number of AS-871/42094774 is 620553-05-1.
What is the molecular formula of AS-871/42094774?
The molecular formula of AS-871/42094774 is C19H21BrN2O4S.
What is the molecular weight of AS-871/42094774?
The molecular weight of AS-871/42094774 is 452.04 g/mol.
Where can I buy AS-871/42094774?
You can request a quote for AS-871/42094774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42094774?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42094774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.