4-Ethylphenyl 4-ethylbenzenecarboxylate
TL;DR: 4-Ethylphenyl 4-ethylbenzenecarboxylate (CAS 104899-04-9) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) 4-ethylbenzoate
Also Known As: 4-ethylphenyl 4-ethylbenzoate, 4-ethylphenyl 4-ethylbenzenecarboxylate, (4-ethylphenyl) 4-ethylbenzoate, 4-ethylphenyl4-ethylbenzoate, 4-Ethylbenzoic acid 4-ethylphenyl ester
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.0306 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 538.4797 |
Chemical Identifiers
| CAS Number | 104899-04-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC |
Product Overview
4-Ethylphenyl 4-ethylbenzenecarboxylate (CAS 104899-04-9), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: (4-ethylphenyl) 4-ethylbenzoate.
Chemical Property Profile of 4-Ethylphenyl 4-ethylbenzenecarboxylate
Property Insights of 4-Ethylphenyl 4-ethylbenzenecarboxylate
The XLogP value of 4.0306 indicates that 4-Ethylphenyl 4-ethylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Ethylphenyl 4-ethylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylphenyl 4-ethylbenzenecarboxylate has 0 hydrogen bond donor(s) and 2 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-Ethylphenyl 4-ethylbenzenecarboxylate?
The CAS number of 4-Ethylphenyl 4-ethylbenzenecarboxylate is 104899-04-9.
What is the molecular formula of 4-Ethylphenyl 4-ethylbenzenecarboxylate?
The molecular formula of 4-Ethylphenyl 4-ethylbenzenecarboxylate is C17H18O2.
What is the molecular weight of 4-Ethylphenyl 4-ethylbenzenecarboxylate?
The molecular weight of 4-Ethylphenyl 4-ethylbenzenecarboxylate is 254.13 g/mol.
Where can I buy 4-Ethylphenyl 4-ethylbenzenecarboxylate?
You can request a quote for 4-Ethylphenyl 4-ethylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl 4-ethylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl 4-ethylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.