BAS 03570839
TL;DR: BAS 03570839 (CAS 307541-46-4) is a chemical compound with molecular formula C20H14FN3O5S and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: BAS 03570839, 4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C20H14FN3O5S |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 3.0177 |
| Topological Polar Surface Area | 112.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.0638 |
| Heavy Atoms | 30 |
| Complexity | 1161.6948 |
Chemical Identifiers
| CAS Number | 307541-46-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NN=CS4)O |
Product Overview
BAS 03570839 (CAS 307541-46-4), with molecular formula C20H14FN3O5S and molecular weight 427.06 g/mol. IUPAC: 4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03570839
Property Insights of BAS 03570839
The XLogP value of 3.0177 indicates that BAS 03570839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03570839. Following Lipinski's Rule of Five, BAS 03570839 has 2 hydrogen bond donor(s) and 8 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 BAS 03570839?
The CAS number of BAS 03570839 is 307541-46-4.
What is the molecular formula of BAS 03570839?
The molecular formula of BAS 03570839 is C20H14FN3O5S.
What is the molecular weight of BAS 03570839?
The molecular weight of BAS 03570839 is 427.06 g/mol.
Where can I buy BAS 03570839?
You can request a quote for BAS 03570839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03570839?
Yes, KEHONG BIO provides custom synthesis services for BAS 03570839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.