3-(3,4-Dihydroxyphenyl)propanoate
TL;DR: 3-(3,4-Dihydroxyphenyl)propanoate (CAS 1078-61-1) is a chemical compound with molecular formula C9H9O4- and molecular weight 181.05008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydroxyphenyl)propanoate
Also Known As: Hydrocaffeate, Hydrocaffeic acid, 3-(3,4-dihydroxyphenyl)propanoate, 3,4-Dihydroxyphenylpropanoate, 3-(3,4-Dihydroxyphenyl)propanoic acid
Technical Specifications
| Molecular Formula | C9H9O4- |
| Molecular Weight | 181.05008 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05008 Da |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
| SMILES | C1=CC(=C(C=C1CCC(=O)[O-])O)O |
| InChIKey | DZAUWHJDUNRCTF-UHFFFAOYSA-M |
Chemical Property Profile of 3-(3,4-Dihydroxyphenyl)propanoate
Property Insights of 3-(3,4-Dihydroxyphenyl)propanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)propanoate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)propanoate. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)propanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3,4-Dihydroxyphenyl)propanoate?
The CAS number of 3-(3,4-Dihydroxyphenyl)propanoate is 1078-61-1.
What is the molecular formula of 3-(3,4-Dihydroxyphenyl)propanoate?
The molecular formula of 3-(3,4-Dihydroxyphenyl)propanoate is C9H9O4-.
What is the molecular weight of 3-(3,4-Dihydroxyphenyl)propanoate?
The molecular weight of 3-(3,4-Dihydroxyphenyl)propanoate is 181.05008 g/mol.
Where can I buy 3-(3,4-Dihydroxyphenyl)propanoate?
You can request a quote for 3-(3,4-Dihydroxyphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dihydroxyphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dihydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.