BAS 04358477
TL;DR: BAS 04358477 (CAS 442640-86-0) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propanoic acid
Also Known As: BAS 04358477, 3-(3-Hydroxy-4-(4-methoxybenzoyl)-2-oxo-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propanoic acid
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 1.9866 |
| Topological Polar Surface Area | 117.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 936.9281 |
Chemical Identifiers
| CAS Number | 442640-86-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(=O)O)C3=CN=CC=C3)O |
Product Overview
BAS 04358477 (CAS 442640-86-0), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: 3-[4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of BAS 04358477
Property Insights of BAS 04358477
The XLogP value of 1.9866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04358477. The TPSA of 117.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04358477. Following Lipinski's Rule of Five, BAS 04358477 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 04358477?
The CAS number of BAS 04358477 is 442640-86-0.
What is the molecular formula of BAS 04358477?
The molecular formula of BAS 04358477 is C20H18N2O6.
What is the molecular weight of BAS 04358477?
The molecular weight of BAS 04358477 is 382.12 g/mol.
Where can I buy BAS 04358477?
You can request a quote for BAS 04358477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04358477?
Yes, KEHONG BIO provides custom synthesis services for BAS 04358477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.