3-Phenylpropyl 4-methoxybenzoate
TL;DR: 3-Phenylpropyl 4-methoxybenzoate (CAS 104330-37-2) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 4-methoxybenzoate
Also Known As: 3-Phenylpropyl 4-methoxybenzoate, 3-Phenylpropyl 4-methoxybenzoate #, 3-phenyl-1-propyl 4-methoxybenzoate, 4-Methoxybenzoic acid 3-phenylpropyl ester, Benzoic acid, 4-methoxy-, 3-phenylpropyl ester
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 104330-37-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2 |
| InChIKey | HBQRHMFRXPILOE-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl 4-methoxybenzoate (CAS 104330-37-2), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: 3-phenylpropyl 4-methoxybenzoate.
Chemical Property Profile of 3-Phenylpropyl 4-methoxybenzoate
Property Insights of 3-Phenylpropyl 4-methoxybenzoate
The XLogP value of 4.1 indicates that 3-Phenylpropyl 4-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, 3-Phenylpropyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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 3-Phenylpropyl 4-methoxybenzoate?
The CAS number of 3-Phenylpropyl 4-methoxybenzoate is 104330-37-2.
What is the molecular formula of 3-Phenylpropyl 4-methoxybenzoate?
The molecular formula of 3-Phenylpropyl 4-methoxybenzoate is C17H18O3.
What is the molecular weight of 3-Phenylpropyl 4-methoxybenzoate?
The molecular weight of 3-Phenylpropyl 4-methoxybenzoate is 270.13 g/mol.
Where can I buy 3-Phenylpropyl 4-methoxybenzoate?
You can request a quote for 3-Phenylpropyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.