AS-871/42094111
TL;DR: AS-871/42094111 (CAS 620554-11-2) is a chemical compound with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7-dimethyl-3-oxo-5-(4-pentoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AS-871/42094111, ethyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2,7-dimethyl-3-oxo-5-(4-pentoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H28N2O4S |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 4.4673 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.17697 |
| Heavy Atoms | 29 |
| Complexity | 831.71893 |
Chemical Identifiers
| CAS Number | 620554-11-2 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OCC |
Product Overview
AS-871/42094111 (CAS 620554-11-2), with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol. IUPAC: ethyl 2,7-dimethyl-3-oxo-5-(4-pentoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AS-871/42094111
Property Insights of AS-871/42094111
The XLogP value of 4.4673 indicates that AS-871/42094111 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-871/42094111. Following Lipinski's Rule of Five, AS-871/42094111 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-871/42094111?
The CAS number of AS-871/42094111 is 620554-11-2.
What is the molecular formula of AS-871/42094111?
The molecular formula of AS-871/42094111 is C22H28N2O4S.
What is the molecular weight of AS-871/42094111?
The molecular weight of AS-871/42094111 is 416.18 g/mol.
Where can I buy AS-871/42094111?
You can request a quote for AS-871/42094111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42094111?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42094111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.