AS-871/42351759
TL;DR: AS-871/42351759 (CAS 623535-93-3) is a chemical compound with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: AS-871/42351759, 5-(4-ethoxyphenyl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 5-(4-ethoxyphenyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
| Molecular Formula | C25H21N3O6S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.78292 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1151 |
| Heavy Atoms | 35 |
| Complexity | 1470.1372 |
Chemical Identifiers
| CAS Number | 623535-93-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC |
Product Overview
AS-871/42351759 (CAS 623535-93-3), with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol. IUPAC: 2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/42351759
Property Insights of AS-871/42351759
The XLogP value of 4.78292 indicates that AS-871/42351759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42351759. Following Lipinski's Rule of Five, AS-871/42351759 has 1 hydrogen bond donor(s) and 9 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-871/42351759?
The CAS number of AS-871/42351759 is 623535-93-3.
What is the molecular formula of AS-871/42351759?
The molecular formula of AS-871/42351759 is C25H21N3O6S.
What is the molecular weight of AS-871/42351759?
The molecular weight of AS-871/42351759 is 491.12 g/mol.
Where can I buy AS-871/42351759?
You can request a quote for AS-871/42351759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42351759?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42351759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.