BAS 13117856
TL;DR: BAS 13117856 (CAS 309724-36-5) is a chemical compound with molecular formula C24H17FN2O3 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2H-pyrrol-5-one
Also Known As: BAS 13117856, 2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2H-pyrrol-5-one, 4-cinnamoyl-5-(4-fluorophenyl)-3-hydroxy-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, 5-(4-fluorophenyl)-3-hydroxy-4-[(2E)-3-phenylprop-2-enoyl]-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-FLUOROPHENYL)-3-HYDROXY-4-[(E)-3-PHENYL-2-PROPENOYL]-1-(2-PYRIDYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C24H17FN2O3 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.4032 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1223 |
| Heavy Atoms | 30 |
| Complexity | 1140.0881 |
Chemical Identifiers
| CAS Number | 309724-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)C4=CC=CC=N4)O |
Product Overview
BAS 13117856 (CAS 309724-36-5), with molecular formula C24H17FN2O3 and molecular weight 400.12 g/mol. IUPAC: 2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2H-pyrrol-5-one.
Chemical Property Profile of BAS 13117856
Property Insights of BAS 13117856
The XLogP value of 4.4032 indicates that BAS 13117856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117856. Following Lipinski's Rule of Five, BAS 13117856 has 1 hydrogen bond donor(s) and 4 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 13117856?
The CAS number of BAS 13117856 is 309724-36-5.
What is the molecular formula of BAS 13117856?
The molecular formula of BAS 13117856 is C24H17FN2O3.
What is the molecular weight of BAS 13117856?
The molecular weight of BAS 13117856 is 400.12 g/mol.
Where can I buy BAS 13117856?
You can request a quote for BAS 13117856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117856?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.