1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
TL;DR: 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester (CAS 72727-57-2) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
Also Known As: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate, Ethyl 2-methyl-alpha-pentyl-1,3-dioxolane-2-acetate, 2-(2-Methyl-1,3-dioxolan-2-yl)heptanoic acid, ethyl ester, 1,3-Dioxolane-2-acetic acid, 2-methyl-.alpha.-pentyl-, ethyl ester, 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 72727-57-2 |
|---|---|
| SMILES | CCCCCC(C(=O)OCC)C1(OCCO1)C |
| InChIKey | AHEPPWIHINNDTF-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester (CAS 72727-57-2), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate.
Chemical Property Profile of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
Property Insights of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester?
The CAS number of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester is 72727-57-2.
What is the molecular formula of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester?
The molecular formula of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester is C13H24O4.
What is the molecular weight of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester?
The molecular weight of 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester is 244.17 g/mol.
Where can I buy 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester?
You can request a quote for 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.