BAS 02378680
TL;DR: BAS 02378680 (CAS 440096-76-4) is a chemical compound with molecular formula C22H20ClNO7 and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: BAS 02378680, 3-(3-(4-chlorobenzoyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[3-(4-CHLOROBENZOYL)-2-(2,5-DIMETHOXYPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]PROPANOIC ACID
| Molecular Formula | C22H20ClNO7 |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 3.2536 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.09283 |
| Heavy Atoms | 31 |
| Complexity | 1062.0292 |
Chemical Identifiers
| CAS Number | 440096-76-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O |
Product Overview
BAS 02378680 (CAS 440096-76-4), with molecular formula C22H20ClNO7 and molecular weight 445.09 g/mol. IUPAC: 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of BAS 02378680
Property Insights of BAS 02378680
The XLogP value of 3.2536 indicates that BAS 02378680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378680. Following Lipinski's Rule of Five, BAS 02378680 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 02378680?
The CAS number of BAS 02378680 is 440096-76-4.
What is the molecular formula of BAS 02378680?
The molecular formula of BAS 02378680 is C22H20ClNO7.
What is the molecular weight of BAS 02378680?
The molecular weight of BAS 02378680 is 445.09 g/mol.
Where can I buy BAS 02378680?
You can request a quote for BAS 02378680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378680?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.