Propyl 3,4,5-trimethoxybenzoate
TL;DR: Propyl 3,4,5-trimethoxybenzoate (CAS 6178-45-6) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3,4,5-trimethoxybenzoate
Also Known As: Propyl 3,4,5-trimethoxybenzoate, propyl3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid propyl ester, Benzoic acid,3,4,5-trimethoxy-, propyl ester, BENZOIC ACID, 3,4,5-TRIMETHOXY-, PROPYL ESTER
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 6178-45-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | FZUOVWLTJMRMHO-UHFFFAOYSA-N |
Product Overview
Propyl 3,4,5-trimethoxybenzoate (CAS 6178-45-6), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: propyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Propyl 3,4,5-trimethoxybenzoate
Property Insights of Propyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Propyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 3,4,5-trimethoxybenzoate?
The CAS number of Propyl 3,4,5-trimethoxybenzoate is 6178-45-6.
What is the molecular formula of Propyl 3,4,5-trimethoxybenzoate?
The molecular formula of Propyl 3,4,5-trimethoxybenzoate is C13H18O5.
What is the molecular weight of Propyl 3,4,5-trimethoxybenzoate?
The molecular weight of Propyl 3,4,5-trimethoxybenzoate is 254.12 g/mol.
Where can I buy Propyl 3,4,5-trimethoxybenzoate?
You can request a quote for Propyl 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 Propyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.