2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
TL;DR: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester (CAS 5466-77-3) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Octinoxate, Octyl methoxycinnamate, Sunscreen AV, Escalol, Parsol
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 5466-77-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC |
| InChIKey | YBGZDTIWKVFICR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester (CAS 5466-77-3), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
Property Insights of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
The XLogP value of 5.3 indicates that 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?
The CAS number of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is 5466-77-3.
What is the molecular formula of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?
The molecular formula of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is C18H26O3.
What is the molecular weight of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?
The molecular weight of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is 290.19 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?
You can request a quote for 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.