BAS 02378535
TL;DR: BAS 02378535 (CAS 440096-47-9) is a chemical compound with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
Also Known As: BAS 02378535, 3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one, AQ-149/40721571, 4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H28N2O6 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 1.7105 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.19473 |
| Heavy Atoms | 29 |
| Complexity | 800.3611 |
Chemical Identifiers
| CAS Number | 440096-47-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)CCCN3CCOCC3)O |
Product Overview
BAS 02378535 (CAS 440096-47-9), with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol. IUPAC: 3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 02378535
Property Insights of BAS 02378535
The XLogP value of 1.7105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378535. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378535. Following Lipinski's Rule of Five, BAS 02378535 has 1 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 02378535?
The CAS number of BAS 02378535 is 440096-47-9.
What is the molecular formula of BAS 02378535?
The molecular formula of BAS 02378535 is C21H28N2O6.
What is the molecular weight of BAS 02378535?
The molecular weight of BAS 02378535 is 404.19 g/mol.
Where can I buy BAS 02378535?
You can request a quote for BAS 02378535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378535?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.