2-氧代-3-(3,4,5-三甲氧基苯基)丙酸
TL;DR: 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 (CAS 6659-16-1) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氧代-3-(3,4,5-三甲氧基苯基)丙酸
2-oxo-3-(3,4,5-trimethoxyphenyl)propanoic acid
Also Known As: 2-oxo-3- propanoicacid, 2-oxo-3-(3,4,5-trimethoxyphenyl)propanoic acid, 3-(3,4,5-Trimethoxyphenyl)pyruvic acid, J1.022.910C, Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo-
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 6659-16-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=O)C(=O)O |
| InChIKey | NYRJTUWNBNNATI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 (CAS 6659-16-1), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: 2-oxo-3-(3,4,5-trimethoxyphenyl)propanoic acid.
Chemical Property Profile of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸
Property Insights of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸. Following Lipinski's Rule of Five, 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 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 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸?
The CAS number of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 is 6659-16-1.
What is the molecular formula of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸?
The molecular formula of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 is C12H14O6.
What is the molecular weight of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸?
The molecular weight of 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 is 254.08 g/mol.
Where can I buy 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸?
You can request a quote for 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氧代-3-(3,4,5-三甲氧基苯基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.