尿黑酸
TL;DR: 尿黑酸 (CAS 451-13-8) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尿黑酸
2-(2,5-dihydroxyphenyl)acetic acid
Also Known As: Homogentisic acid, Alcapton, 2,5-Dihydroxyphenylacetic acid, homogentisate, Homogentisinic acid
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Melting Point | 153 °C |
| Solubility | 850 mg/mL at 25 °C |
| Vapor Pressure | 0.00000082 [mmHg] |
Chemical Identifiers
| CAS Number | 451-13-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)CC(=O)O)O |
| InChIKey | IGMNYECMUMZDDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尿黑酸 (CAS 451-13-8), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-(2,5-dihydroxyphenyl)acetic acid.
Chemical Property Profile of 尿黑酸
Property Insights of 尿黑酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尿黑酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 尿黑酸. Following Lipinski's Rule of Five, 尿黑酸 has 3 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 尿黑酸?
The CAS number of 尿黑酸 is 451-13-8.
What is the molecular formula of 尿黑酸?
The molecular formula of 尿黑酸 is C8H8O4.
What is the molecular weight of 尿黑酸?
The molecular weight of 尿黑酸 is 168.04 g/mol.
Where can I buy 尿黑酸?
You can request a quote for 尿黑酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尿黑酸?
Yes, KEHONG BIO provides custom synthesis services for 尿黑酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.