Methyl 3-(decyloxy)benzoate
TL;DR: Methyl 3-(decyloxy)benzoate (CAS 97067-80-6) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-decoxybenzoate
Also Known As: Methyl 3-(decyloxy)benzoate, Methyl 3-decoxybenzoate, Methyl 3-decyloxybenzoate, Methyl 3-n-decyloxybenzoate, 653-227-8
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 4.9927 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 401.20483 |
Chemical Identifiers
| CAS Number | 97067-80-6 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-(decyloxy)benzoate (CAS 97067-80-6), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: methyl 3-decoxybenzoate.
Chemical Property Profile of Methyl 3-(decyloxy)benzoate
Property Insights of Methyl 3-(decyloxy)benzoate
The XLogP value of 4.9927 indicates that Methyl 3-(decyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-(decyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(decyloxy)benzoate 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 Methyl 3-(decyloxy)benzoate?
The CAS number of Methyl 3-(decyloxy)benzoate is 97067-80-6.
What is the molecular formula of Methyl 3-(decyloxy)benzoate?
The molecular formula of Methyl 3-(decyloxy)benzoate is C18H28O3.
What is the molecular weight of Methyl 3-(decyloxy)benzoate?
The molecular weight of Methyl 3-(decyloxy)benzoate is 292.20 g/mol.
Where can I buy Methyl 3-(decyloxy)benzoate?
You can request a quote for Methyl 3-(decyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(decyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(decyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.