4-羟苯丙酮酸
TL;DR: 4-羟苯丙酮酸 (CAS 156-39-8) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟苯丙酮酸
3-(4-hydroxyphenyl)-2-oxopropanoic acid
Also Known As: 4-Hydroxyphenylpyruvic acid, Testacid, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid, Testacide, p-Hydroxyphenylpyruvic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| Melting Point | 219 - 220 °C |
Chemical Identifiers
| CAS Number | 156-39-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C(=O)O)O |
| InChIKey | KKADPXVIOXHVKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟苯丙酮酸 (CAS 156-39-8), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 3-(4-hydroxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 4-羟苯丙酮酸
Property Insights of 4-羟苯丙酮酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟苯丙酮酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟苯丙酮酸. Following Lipinski's Rule of Five, 4-羟苯丙酮酸 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
Frequently Asked Questions
What is the CAS number of 4-羟苯丙酮酸?
The CAS number of 4-羟苯丙酮酸 is 156-39-8.
What is the molecular formula of 4-羟苯丙酮酸?
The molecular formula of 4-羟苯丙酮酸 is C9H8O4.
What is the molecular weight of 4-羟苯丙酮酸?
The molecular weight of 4-羟苯丙酮酸 is 180.04 g/mol.
Where can I buy 4-羟苯丙酮酸?
You can request a quote for 4-羟苯丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟苯丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟苯丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.