Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester
TL;DR: Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester (CAS 103239-85-6) is a chemical compound with molecular formula C28H40O5 and molecular weight 456.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-ethoxypropoxy)phenyl] 4-decoxybenzoate
Also Known As: [4-(2-ethoxypropoxy)phenyl] 4-decoxybenzoate, Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester, 4-(2-ETHOXYPROPOXY)PHENYL 4-(DECYLOXY)BENZOATE, J1.834.177H, 4'-[(S)-2-ethoxypropoxy]phenyl 4-(n-decyloxy)benzoate
| Molecular Formula | C28H40O5 |
|---|---|
| Molecular Weight | 456.29 g/mol |
| LogP | 7.2291 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 456.28757 |
| Heavy Atoms | 33 |
| Complexity | 769.8797 |
Chemical Identifiers
| CAS Number | 103239-85-6 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C)OCC |
Product Overview
Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester (CAS 103239-85-6), with molecular formula C28H40O5 and molecular weight 456.29 g/mol. IUPAC: [4-(2-ethoxypropoxy)phenyl] 4-decoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester
Property Insights of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester
The XLogP value of 7.2291 indicates that Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester?
The CAS number of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester is 103239-85-6.
What is the molecular formula of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester?
The molecular formula of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester is C28H40O5.
What is the molecular weight of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester?
The molecular weight of Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester is 456.29 g/mol.
Where can I buy Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester?
You can request a quote for Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.