AS-871/41115121
TL;DR: AS-871/41115121 (CAS 381709-12-2) is a chemical compound with molecular formula C22H17N3O8S and molecular weight 483.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AS-871/41115121, ethyl 2-[3-(furan-2-ylcarbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(3-(2-furoyl)-4-hydroxy-2-{4-nitrophenyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H17N3O8S |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 3.91232 |
| Topological Polar Surface Area | 153.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.07364 |
| Heavy Atoms | 34 |
| Complexity | 1324.624 |
Chemical Identifiers
| CAS Number | 381709-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
AS-871/41115121 (CAS 381709-12-2), with molecular formula C22H17N3O8S and molecular weight 483.07 g/mol. IUPAC: ethyl 2-[3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AS-871/41115121
Property Insights of AS-871/41115121
The XLogP value of 3.91232 indicates that AS-871/41115121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.08 Ų indicates high polarity, suggesting AS-871/41115121 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AS-871/41115121 has 1 hydrogen bond donor(s) and 10 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-871/41115121?
The CAS number of AS-871/41115121 is 381709-12-2.
What is the molecular formula of AS-871/41115121?
The molecular formula of AS-871/41115121 is C22H17N3O8S.
What is the molecular weight of AS-871/41115121?
The molecular weight of AS-871/41115121 is 483.07 g/mol.
Where can I buy AS-871/41115121?
You can request a quote for AS-871/41115121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41115121?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41115121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.