Pentylphenyl methoxybenzoate
TL;DR: Pentylphenyl methoxybenzoate (CAS 38444-13-2) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentylphenyl) 4-methoxybenzoate
Also Known As: 4-Pentylphenyl 4-methoxybenzoate, p-Pentylphenyl p-anisate, MeOBzo5P, Nematal 105, (4-pentylphenyl) 4-methoxybenzoate
| Molecular Formula | C19H22O3 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1569 |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 38444-13-2 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC |
| InChIKey | UISXVYOLBGBYCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentylphenyl methoxybenzoate (CAS 38444-13-2), with molecular formula C19H22O3 and molecular weight 298.16 g/mol. IUPAC: (4-pentylphenyl) 4-methoxybenzoate.
Chemical Property Profile of Pentylphenyl methoxybenzoate
Property Insights of Pentylphenyl methoxybenzoate
The XLogP value of 5.7 indicates that Pentylphenyl methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Pentylphenyl methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentylphenyl methoxybenzoate 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 Pentylphenyl methoxybenzoate?
The CAS number of Pentylphenyl methoxybenzoate is 38444-13-2.
What is the molecular formula of Pentylphenyl methoxybenzoate?
The molecular formula of Pentylphenyl methoxybenzoate is C19H22O3.
What is the molecular weight of Pentylphenyl methoxybenzoate?
The molecular weight of Pentylphenyl methoxybenzoate is 298.16 g/mol.
Where can I buy Pentylphenyl methoxybenzoate?
You can request a quote for Pentylphenyl methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentylphenyl methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentylphenyl methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.