![4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) structure](/static/products/7155/71550-60-2.webp)
4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)
TL;DR: 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) (CAS 71550-60-2) is a chemical compound with molecular formula C16H22O8 and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-carboxyprop-2-enoyloxy)-2,2,4-trimethylpentoxy]-4-oxobut-2-enoic acid
Also Known As: 1-isopropyl-2,2-dimethylpropane-1,3-diylmaleate, 2-Butenedioic acid (2Z)-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid), 2-Butenedioic acid (2Z)-, 1,1a(2)-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
| Molecular Formula | C16H22O8 |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 342.13147 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 71550-60-2 |
|---|---|
| SMILES | CC(C)C(C(C)(C)COC(=O)C=CC(=O)O)OC(=O)C=CC(=O)O |
| InChIKey | GCGQUKLVRVNKGW-UHFFFAOYSA-N |
Product Overview
4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) (CAS 71550-60-2), with molecular formula C16H22O8 and molecular weight 342.13 g/mol. IUPAC: 4-[3-(3-carboxyprop-2-enoyloxy)-2,2,4-trimethylpentoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)
Property Insights of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid). Following Lipinski's Rule of Five, 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) has 2 hydrogen bond donor(s) and 8 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'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)?
The CAS number of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) is 71550-60-2.
What is the molecular formula of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)?
The molecular formula of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) is C16H22O8.
What is the molecular weight of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)?
The molecular weight of 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) is 342.13 g/mol.
Where can I buy 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)?
You can request a quote for 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic 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'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[(2,2,4-Trimethylpentane-1,3-diyl)bis(oxy)]bis(4-oxobut-2-enoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.