BAS 01403001
TL;DR: BAS 01403001 (CAS 309724-56-9) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: BAS 01403001, BIM-0049838.P001, A2217/0093351, 4-(3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 2.8813 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 1046.3302 |
Chemical Identifiers
| CAS Number | 309724-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])/O |
Product Overview
BAS 01403001 (CAS 309724-56-9), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: 4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of BAS 01403001
Property Insights of BAS 01403001
The XLogP value of 2.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01403001. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01403001. Following Lipinski's Rule of Five, BAS 01403001 has 2 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 01403001?
The CAS number of BAS 01403001 is 309724-56-9.
What is the molecular formula of BAS 01403001?
The molecular formula of BAS 01403001 is C21H18N2O7.
What is the molecular weight of BAS 01403001?
The molecular weight of BAS 01403001 is 410.11 g/mol.
Where can I buy BAS 01403001?
You can request a quote for BAS 01403001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01403001?
Yes, KEHONG BIO provides custom synthesis services for BAS 01403001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.