2-Ethylhexyl 3-methoxypropyl phthalate
TL;DR: 2-Ethylhexyl 3-methoxypropyl phthalate (CAS 85661-32-1) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-(3-methoxypropyl) benzene-1,2-dicarboxylate
Also Known As: 2-Ethylhexyl 3-methoxypropyl phthalate, EINECS 288-115-4, 2-ethylhexyl3-methoxypropylphthalate, 2-Ethylhexyl 3-methoxypropyl benzene-1,2-dicarboxylate, 2-O-(2-ethylhexyl) 1-O-(3-methoxypropyl) benzene-1,2-dicarboxylate
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 4.2531 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 526.57275 |
Chemical Identifiers
| CAS Number | 85661-32-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCOC |
Product Overview
2-Ethylhexyl 3-methoxypropyl phthalate (CAS 85661-32-1), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-(3-methoxypropyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl 3-methoxypropyl phthalate
Property Insights of 2-Ethylhexyl 3-methoxypropyl phthalate
The XLogP value of 4.2531 indicates that 2-Ethylhexyl 3-methoxypropyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylhexyl 3-methoxypropyl phthalate. Following Lipinski's Rule of Five, 2-Ethylhexyl 3-methoxypropyl phthalate has 0 hydrogen bond donor(s) and 5 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 2-Ethylhexyl 3-methoxypropyl phthalate?
The CAS number of 2-Ethylhexyl 3-methoxypropyl phthalate is 85661-32-1.
What is the molecular formula of 2-Ethylhexyl 3-methoxypropyl phthalate?
The molecular formula of 2-Ethylhexyl 3-methoxypropyl phthalate is C20H30O5.
What is the molecular weight of 2-Ethylhexyl 3-methoxypropyl phthalate?
The molecular weight of 2-Ethylhexyl 3-methoxypropyl phthalate is 350.21 g/mol.
Where can I buy 2-Ethylhexyl 3-methoxypropyl phthalate?
You can request a quote for 2-Ethylhexyl 3-methoxypropyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 3-methoxypropyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 3-methoxypropyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.