BAS 02378731
TL;DR: BAS 02378731 (CAS 440096-82-2) is a chemical compound with molecular formula C18H15FN2O3 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Also Known As: BAS 02378731, 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one, 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C18H15FN2O3 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 2.7053 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10666 |
| Heavy Atoms | 24 |
| Complexity | 833.16736 |
Chemical Identifiers
| CAS Number | 440096-82-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CC3=CN=CC=C3)O |
Product Overview
BAS 02378731 (CAS 440096-82-2), with molecular formula C18H15FN2O3 and molecular weight 326.11 g/mol. IUPAC: 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 02378731
Property Insights of BAS 02378731
The XLogP value of 2.7053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378731. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378731. Following Lipinski's Rule of Five, BAS 02378731 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 02378731?
The CAS number of BAS 02378731 is 440096-82-2.
What is the molecular formula of BAS 02378731?
The molecular formula of BAS 02378731 is C18H15FN2O3.
What is the molecular weight of BAS 02378731?
The molecular weight of BAS 02378731 is 326.11 g/mol.
Where can I buy BAS 02378731?
You can request a quote for BAS 02378731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378731?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.