3,4-二羟基苯基丙酮酸
TL;DR: 3,4-二羟基苯基丙酮酸 (CAS 5416-30-8) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二羟基苯基丙酮酸
3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid
Also Known As: 3,4-Dihydroxyphenylpyruvic acid, 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid, DHPPA, 3,4-dihydroxyphenylpyruvate, Pregabalin Impurity 29
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 5416-30-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)C(=O)O)O)O |
| InChIKey | LQQFFJFGLSKYIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二羟基苯基丙酮酸 (CAS 5416-30-8), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3,4-二羟基苯基丙酮酸
Property Insights of 3,4-二羟基苯基丙酮酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二羟基苯基丙酮酸. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二羟基苯基丙酮酸. Following Lipinski's Rule of Five, 3,4-二羟基苯基丙酮酸 has 3 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 3,4-二羟基苯基丙酮酸?
The CAS number of 3,4-二羟基苯基丙酮酸 is 5416-30-8.
What is the molecular formula of 3,4-二羟基苯基丙酮酸?
The molecular formula of 3,4-二羟基苯基丙酮酸 is C9H8O5.
What is the molecular weight of 3,4-二羟基苯基丙酮酸?
The molecular weight of 3,4-二羟基苯基丙酮酸 is 196.04 g/mol.
Where can I buy 3,4-二羟基苯基丙酮酸?
You can request a quote for 3,4-二羟基苯基丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二羟基苯基丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二羟基苯基丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.