3,4,5-Trimethoxyhydrocinnamic acid
TL;DR: 3,4,5-Trimethoxyhydrocinnamic acid (CAS 25173-72-2) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)propanoic acid
Also Known As: 3-(3,4,5-Trimethoxyphenyl)propanoic acid, 3-(3,4,5-Trimethoxyphenyl)propionic acid, Benzenepropanoic acid, 3,4,5-trimethoxy-, 3,4,5-Trimethoxyhydrocinnamic acid, Maybridge1_005958
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
| Melting Point | 102 - 103 °C |
Chemical Identifiers
| CAS Number | 25173-72-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC(=O)O |
| InChIKey | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxyhydrocinnamic acid (CAS 25173-72-2), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)propanoic acid.
Chemical Property Profile of 3,4,5-Trimethoxyhydrocinnamic acid
Property Insights of 3,4,5-Trimethoxyhydrocinnamic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxyhydrocinnamic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxyhydrocinnamic acid. Following Lipinski's Rule of Five, 3,4,5-Trimethoxyhydrocinnamic acid has 1 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 3,4,5-Trimethoxyhydrocinnamic acid?
The CAS number of 3,4,5-Trimethoxyhydrocinnamic acid is 25173-72-2.
What is the molecular formula of 3,4,5-Trimethoxyhydrocinnamic acid?
The molecular formula of 3,4,5-Trimethoxyhydrocinnamic acid is C12H16O5.
What is the molecular weight of 3,4,5-Trimethoxyhydrocinnamic acid?
The molecular weight of 3,4,5-Trimethoxyhydrocinnamic acid is 240.10 g/mol.
Where can I buy 3,4,5-Trimethoxyhydrocinnamic acid?
You can request a quote for 3,4,5-Trimethoxyhydrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxyhydrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxyhydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.