![4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) structure](/static/products/4058/405899-59-4.webp)
4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)
TL;DR: 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) (CAS 405899-59-4) is a chemical compound with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-carboxypropanoylamino)-2,4,6-trimethylanilino]-4-oxobutanoic acid
Also Known As: 4,4'-[(2,4,6-trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid), 3-[[3-(3-carboxypropanoylamino)-2,4,6-trimethyl-phenyl]carbamoyl]propanoic Acid, 3-{[3-(3-CARBOXYPROPANAMIDO)-2,4,6-TRIMETHYLPHENYL]CARBAMOYL}PROPANOIC ACID, 4,4'-((2,4,6-trimethyl-1,3-phenylene)bis(azanediyl))bis(4-oxobutanoic acid), 4-[3-[(4-hydroxy-4-oxobutanoyl)amino]-2,4,6-trimethylanilino]-4-oxobutanoic acid
| Molecular Formula | C17H22N2O6 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.1478 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 405899-59-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1NC(=O)CCC(=O)O)C)NC(=O)CCC(=O)O)C |
| InChIKey | OWYFEBIAEPEWNK-UHFFFAOYSA-N |
Product Overview
4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) (CAS 405899-59-4), with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol. IUPAC: 4-[3-(3-carboxypropanoylamino)-2,4,6-trimethylanilino]-4-oxobutanoic acid.
Chemical Property Profile of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)
Property Insights of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid). Following Lipinski's Rule of Five, 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic 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'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)?
The CAS number of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) is 405899-59-4.
What is the molecular formula of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)?
The molecular formula of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) is C17H22N2O6.
What is the molecular weight of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)?
The molecular weight of 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) is 350.15 g/mol.
Where can I buy 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)?
You can request a quote for 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic 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'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[(2,4,6-Trimethylbenzene-1,3-diyl)diimino]bis(4-oxobutanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.