4,4'-methylenebis(maleanilic acid)
TL;DR: 4,4'-methylenebis(maleanilic acid) (CAS 6330-01-4) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(3-carboxyprop-2-enoylamino)phenyl]methyl]anilino]-4-oxobut-2-enoic acid
Also Known As: 4,4'-methylenebis(maleanilic acid), 4,4'-[methanediylbis(benzene-4,1-diylimino)]bis(4-oxobut-2-enoic acid), 4-(4-{4-[(3-carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid, 4-[4-[[4-[(4-hydroxy-4-oxobut-2-enoyl)amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid, (Z)-3-[[4-[[4-(3-carboxyprop-2-enoylamino)phenyl]methyl]phenyl]carbamoyl]prop-2-enoic acid
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 6330-01-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O |
| InChIKey | UEPLPNFSKRYEKO-UHFFFAOYSA-N |
Product Overview
4,4'-methylenebis(maleanilic acid) (CAS 6330-01-4), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: 4-[4-[[4-(3-carboxyprop-2-enoylamino)phenyl]methyl]anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4,4'-methylenebis(maleanilic acid)
Property Insights of 4,4'-methylenebis(maleanilic acid)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-methylenebis(maleanilic acid). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-methylenebis(maleanilic acid). Following Lipinski's Rule of Five, 4,4'-methylenebis(maleanilic acid) has 4 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 4,4'-methylenebis(maleanilic acid)?
The CAS number of 4,4'-methylenebis(maleanilic acid) is 6330-01-4.
What is the molecular formula of 4,4'-methylenebis(maleanilic acid)?
The molecular formula of 4,4'-methylenebis(maleanilic acid) is C21H18N2O6.
What is the molecular weight of 4,4'-methylenebis(maleanilic acid)?
The molecular weight of 4,4'-methylenebis(maleanilic acid) is 394.12 g/mol.
Where can I buy 4,4'-methylenebis(maleanilic acid)?
You can request a quote for 4,4'-methylenebis(maleanilic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-methylenebis(maleanilic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-methylenebis(maleanilic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.