AS-871/42351752
TL;DR: AS-871/42351752 (CAS 623536-41-4) is a chemical compound with molecular formula C23H17N3O6S and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(3-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: AS-871/42351752, 3-hydroxy-5-(3-hydroxyphenyl)-4-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 3-hydroxy-5-(3-hydroxyphenyl)-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 4-hydroxy-2-(3-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
| Molecular Formula | C23H17N3O6S |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 4.08982 |
| Topological Polar Surface Area | 125.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.0838 |
| Heavy Atoms | 33 |
| Complexity | 1453.44 |
Chemical Identifiers
| CAS Number | 623536-41-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC(=CC=C5)O |
Product Overview
AS-871/42351752 (CAS 623536-41-4), with molecular formula C23H17N3O6S and molecular weight 463.08 g/mol. IUPAC: 4-hydroxy-2-(3-hydroxyphenyl)-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-871/42351752
Property Insights of AS-871/42351752
The XLogP value of 4.08982 indicates that AS-871/42351752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42351752. Following Lipinski's Rule of Five, AS-871/42351752 has 2 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-871/42351752?
The CAS number of AS-871/42351752 is 623536-41-4.
What is the molecular formula of AS-871/42351752?
The molecular formula of AS-871/42351752 is C23H17N3O6S.
What is the molecular weight of AS-871/42351752?
The molecular weight of AS-871/42351752 is 463.08 g/mol.
Where can I buy AS-871/42351752?
You can request a quote for AS-871/42351752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42351752?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42351752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.