4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid
TL;DR: 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid (CAS 5735-86-4) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-carboxypropyl)-1,3-dioxolan-2-yl]butanoic acid
Also Known As: 4,4'-(1,3-dioxolane-2,2-diyl)dibutanoic acid, 4-[2-(3-carboxypropyl)-1,3-dioxolan-2-yl]butanoic acid, 4-[2-(4-hydroxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoic acid
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 5735-86-4 |
|---|---|
| SMILES | C1COC(O1)(CCCC(=O)O)CCCC(=O)O |
| InChIKey | XJPKKYMQLMCBOX-UHFFFAOYSA-N |
Product Overview
4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid (CAS 5735-86-4), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: 4-[2-(3-carboxypropyl)-1,3-dioxolan-2-yl]butanoic acid.
Chemical Property Profile of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid
Property Insights of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid. Following Lipinski's Rule of Five, 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid 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 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid?
The CAS number of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid is 5735-86-4.
What is the molecular formula of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid?
The molecular formula of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid is C11H18O6.
What is the molecular weight of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid?
The molecular weight of 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid is 246.11 g/mol.
Where can I buy 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid?
You can request a quote for 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic 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'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,3-Dioxolane-2,2-diyl)dibutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.