BAS 02378539
TL;DR: BAS 02378539 (CAS 440096-50-4) is a chemical compound with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
Also Known As: BAS 02378539, AQ-149/40721572, 4-acetyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one, 4-acetyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H26N2O6 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 1.4075 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.17908 |
| Heavy Atoms | 28 |
| Complexity | 784.90063 |
Chemical Identifiers
| CAS Number | 440096-50-4 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CCCN3CCOCC3)O |
Product Overview
BAS 02378539 (CAS 440096-50-4), with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol. IUPAC: 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 02378539
Property Insights of BAS 02378539
The XLogP value of 1.4075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378539. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378539. Following Lipinski's Rule of Five, BAS 02378539 has 2 hydrogen bond donor(s) and 7 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 02378539?
The CAS number of BAS 02378539 is 440096-50-4.
What is the molecular formula of BAS 02378539?
The molecular formula of BAS 02378539 is C20H26N2O6.
What is the molecular weight of BAS 02378539?
The molecular weight of BAS 02378539 is 390.18 g/mol.
Where can I buy BAS 02378539?
You can request a quote for BAS 02378539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378539?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.