Butyl 3,4,5-trimethoxybenzoate
TL;DR: Butyl 3,4,5-trimethoxybenzoate (CAS 6178-46-7) is a chemical compound with molecular formula C14H20O5 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3,4,5-trimethoxybenzoate
Also Known As: Butyl 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid butyl ester, Benzoic acid,3,4,5-trimethoxy-, butyl ester, BENZOIC ACID, 3,4,5-TRIMETHOXY-, BUTYL ESTER, 228-226-7
| Molecular Formula | C14H20O5 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.13107 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 6178-46-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | GZRFAUJVAXSXMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3,4,5-trimethoxybenzoate (CAS 6178-46-7), with molecular formula C14H20O5 and molecular weight 268.13 g/mol. IUPAC: butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Butyl 3,4,5-trimethoxybenzoate
Property Insights of Butyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Butyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 Butyl 3,4,5-trimethoxybenzoate?
The CAS number of Butyl 3,4,5-trimethoxybenzoate is 6178-46-7.
What is the molecular formula of Butyl 3,4,5-trimethoxybenzoate?
The molecular formula of Butyl 3,4,5-trimethoxybenzoate is C14H20O5.
What is the molecular weight of Butyl 3,4,5-trimethoxybenzoate?
The molecular weight of Butyl 3,4,5-trimethoxybenzoate is 268.13 g/mol.
Where can I buy Butyl 3,4,5-trimethoxybenzoate?
You can request a quote for Butyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.