BAS 05887177
TL;DR: BAS 05887177 (CAS 608113-80-0) is a chemical compound with molecular formula C24H16FN3O3S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 05887177, 4-(4-fluorobenzoyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C24H16FN3O3S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 4.76512 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.08963 |
| Heavy Atoms | 32 |
| Complexity | 1397.2991 |
Chemical Identifiers
| CAS Number | 608113-80-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CN=CC=C5 |
Product Overview
BAS 05887177 (CAS 608113-80-0), with molecular formula C24H16FN3O3S and molecular weight 445.09 g/mol. IUPAC: 4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 05887177
Property Insights of BAS 05887177
The XLogP value of 4.76512 indicates that BAS 05887177 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 BAS 05887177. Following Lipinski's Rule of Five, BAS 05887177 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 BAS 05887177?
The CAS number of BAS 05887177 is 608113-80-0.
What is the molecular formula of BAS 05887177?
The molecular formula of BAS 05887177 is C24H16FN3O3S.
What is the molecular weight of BAS 05887177?
The molecular weight of BAS 05887177 is 445.09 g/mol.
Where can I buy BAS 05887177?
You can request a quote for BAS 05887177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05887177?
Yes, KEHONG BIO provides custom synthesis services for BAS 05887177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.