Decyl 4-hydroxy-3-methoxybenzoate
TL;DR: Decyl 4-hydroxy-3-methoxybenzoate (CAS 84375-73-5) is a chemical compound with molecular formula C18H28O4 and molecular weight 308.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 4-hydroxy-3-methoxybenzoate
Also Known As: n-decyl vanillate, decyl 4-hydroxy-3-methoxybenzoate, 4-hydroxy-3-methoxy-benzoic acid decyl ester, Benzoicacid, 4-hydroxy-3-methoxy-, decyl ester
| Molecular Formula | C18H28O4 |
|---|---|
| Molecular Weight | 308.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 308.19876 |
| Heavy Atoms | 22 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 84375-73-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)OC |
| InChIKey | ULBUCEMCRUBRLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl 4-hydroxy-3-methoxybenzoate (CAS 84375-73-5), with molecular formula C18H28O4 and molecular weight 308.20 g/mol. IUPAC: decyl 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Decyl 4-hydroxy-3-methoxybenzoate
Property Insights of Decyl 4-hydroxy-3-methoxybenzoate
The XLogP value of 6.3 indicates that Decyl 4-hydroxy-3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Decyl 4-hydroxy-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 4-hydroxy-3-methoxybenzoate has 1 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 Decyl 4-hydroxy-3-methoxybenzoate?
The CAS number of Decyl 4-hydroxy-3-methoxybenzoate is 84375-73-5.
What is the molecular formula of Decyl 4-hydroxy-3-methoxybenzoate?
The molecular formula of Decyl 4-hydroxy-3-methoxybenzoate is C18H28O4.
What is the molecular weight of Decyl 4-hydroxy-3-methoxybenzoate?
The molecular weight of Decyl 4-hydroxy-3-methoxybenzoate is 308.20 g/mol.
Where can I buy Decyl 4-hydroxy-3-methoxybenzoate?
You can request a quote for Decyl 4-hydroxy-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 4-hydroxy-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 4-hydroxy-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.