2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate
TL;DR: 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate (CAS 138295-18-8) is a chemical compound with molecular formula C31H44O4 and molecular weight 480.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nonoxyphenyl)-2-oxoethyl] 4-heptylbenzoate
Also Known As: BAS 00395807, 2-(4-nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate, [2-(4-nonoxyphenyl)-2-oxoethyl] 4-heptylbenzoate, 2-(4-(nonyloxy)phenyl)-2-oxoethyl 4-heptylbenzoate, 4-Heptyl-benzoic acid 2-(4-nonyloxy-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C31H44O4 |
|---|---|
| Molecular Weight | 480.32 g/mol |
| LogP | 8.3686 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 480.32397 |
| Heavy Atoms | 35 |
| Complexity | 839.2918 |
Chemical Identifiers
| CAS Number | 138295-18-8 |
|---|---|
| SMILES | CCCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CCCCCCC |
Product Overview
2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate (CAS 138295-18-8), with molecular formula C31H44O4 and molecular weight 480.32 g/mol. IUPAC: [2-(4-nonoxyphenyl)-2-oxoethyl] 4-heptylbenzoate.
Chemical Property Profile of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate
Property Insights of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate
The XLogP value of 8.3686 indicates that 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate?
The CAS number of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate is 138295-18-8.
What is the molecular formula of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate?
The molecular formula of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate is C31H44O4.
What is the molecular weight of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate?
The molecular weight of 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate is 480.32 g/mol.
Where can I buy 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate?
You can request a quote for 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nonyloxyphenyl)-2-oxoethyl 4-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.