4-(3,4,5-三甲氧基苯甲酰)丁酸
TL;DR: 4-(3,4,5-三甲氧基苯甲酰)丁酸 (CAS 34759-04-1) is a chemical compound with molecular formula C14H18O6 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,5-三甲氧基苯甲酰)丁酸
5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid
Also Known As: 5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid, 5-(3,4,5-TRIMETHOXYPHENYL)-5-OXOVALERIC ACID, 4-(3,4,5-trimethoxybenzoyl)butyric acid, Benzenepentanoic acid,3,4,5-trimethoxy-d-oxo-, 4-(3,4,5-trimethoxybenzoyl)butanoic acid
| Molecular Formula | C14H18O6 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.11035 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 34759-04-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCCC(=O)O |
| InChIKey | LGYXZGUQHIJKTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4,5-三甲氧基苯甲酰)丁酸 (CAS 34759-04-1), with molecular formula C14H18O6 and molecular weight 282.11 g/mol. IUPAC: 5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid.
Chemical Property Profile of 4-(3,4,5-三甲氧基苯甲酰)丁酸
Property Insights of 4-(3,4,5-三甲氧基苯甲酰)丁酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4,5-三甲氧基苯甲酰)丁酸. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4,5-三甲氧基苯甲酰)丁酸. Following Lipinski's Rule of Five, 4-(3,4,5-三甲氧基苯甲酰)丁酸 has 1 hydrogen bond donor(s) and 6 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 4-(3,4,5-三甲氧基苯甲酰)丁酸?
The CAS number of 4-(3,4,5-三甲氧基苯甲酰)丁酸 is 34759-04-1.
What is the molecular formula of 4-(3,4,5-三甲氧基苯甲酰)丁酸?
The molecular formula of 4-(3,4,5-三甲氧基苯甲酰)丁酸 is C14H18O6.
What is the molecular weight of 4-(3,4,5-三甲氧基苯甲酰)丁酸?
The molecular weight of 4-(3,4,5-三甲氧基苯甲酰)丁酸 is 282.11 g/mol.
Where can I buy 4-(3,4,5-三甲氧基苯甲酰)丁酸?
You can request a quote for 4-(3,4,5-三甲氧基苯甲酰)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4,5-三甲氧基苯甲酰)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4,5-三甲氧基苯甲酰)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.