![4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) structure](/static/products/2946/294656-85-2.webp)
4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)
TL;DR: 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) (CAS 294656-85-2) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 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)-3-methylphenyl]-2-methylanilino]-4-oxobut-2-enoic acid
Also Known As: 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid), (E)-4-[(4'-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}-3,3'-dimethyl[1,1'-biphenyl]-4-yl)amino]-4-oxo-2-butenoic acid, 4-[4-[4-[(4-hydroxy-4-oxobut-2-enoyl)amino]-3-methylphenyl]-2-methylanilino]-4-oxobut-2-enoic acid
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 294656-85-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C=CC(=O)O)C)NC(=O)C=CC(=O)O |
| InChIKey | DRGFNQWJORNQTJ-UHFFFAOYSA-N |
Product Overview
4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) (CAS 294656-85-2), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 4-[4-[4-(3-carboxyprop-2-enoylamino)-3-methylphenyl]-2-methylanilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)
Property Insights of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid). Following Lipinski's Rule of Five, 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic 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'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)?
The CAS number of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) is 294656-85-2.
What is the molecular formula of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)?
The molecular formula of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) is C22H20N2O6.
What is the molecular weight of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)?
The molecular weight of 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) is 408.13 g/mol.
Where can I buy 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)?
You can request a quote for 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic 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'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxo-2-butenoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.