AB00117687-01
TL;DR: AB00117687-01 (CAS 371236-70-3) is a chemical compound with molecular formula C20H13BrFN3O3S and molecular weight 472.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: AB00117687-01, 5-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-bromophenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-(4-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H13BrFN3O3S |
|---|---|
| Molecular Weight | 472.98 g/mol |
| LogP | 4.37442 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.9845 |
| Heavy Atoms | 29 |
| Complexity | 1142.538 |
Chemical Identifiers
| CAS Number | 371236-70-3 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br |
Product Overview
AB00117687-01 (CAS 371236-70-3), with molecular formula C20H13BrFN3O3S and molecular weight 472.98 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00117687-01
Property Insights of AB00117687-01
The XLogP value of 4.37442 indicates that AB00117687-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117687-01. Following Lipinski's Rule of Five, AB00117687-01 has 1 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 AB00117687-01?
The CAS number of AB00117687-01 is 371236-70-3.
What is the molecular formula of AB00117687-01?
The molecular formula of AB00117687-01 is C20H13BrFN3O3S.
What is the molecular weight of AB00117687-01?
The molecular weight of AB00117687-01 is 472.98 g/mol.
Where can I buy AB00117687-01?
You can request a quote for AB00117687-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117687-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117687-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.