AF-399/42017866
TL;DR: AF-399/42017866 (CAS 618869-76-4) is a chemical compound with molecular formula C22H13Cl2N3O4S and molecular weight 485.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: AF-399/42017866, 3-(1-benzofuran-2-carbonyl)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(3,4-dichlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H13Cl2N3O4S |
|---|---|
| Molecular Weight | 485.00 g/mol |
| LogP | 5.68242 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.0004 |
| Heavy Atoms | 32 |
| Complexity | 1408.9874 |
Chemical Identifiers
| CAS Number | 618869-76-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
AF-399/42017866 (CAS 618869-76-4), with molecular formula C22H13Cl2N3O4S and molecular weight 485.00 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42017866
Property Insights of AF-399/42017866
The XLogP value of 5.68242 indicates that AF-399/42017866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42017866. Following Lipinski's Rule of Five, AF-399/42017866 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42017866?
The CAS number of AF-399/42017866 is 618869-76-4.
What is the molecular formula of AF-399/42017866?
The molecular formula of AF-399/42017866 is C22H13Cl2N3O4S.
What is the molecular weight of AF-399/42017866?
The molecular weight of AF-399/42017866 is 485.00 g/mol.
Where can I buy AF-399/42017866?
You can request a quote for AF-399/42017866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42017866?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42017866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.