3,4-二羟基苯乙酸
TL;DR: 3,4-二羟基苯乙酸 (CAS 102-32-9) 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.
3,4-二羟基苯乙酸
2-(3,4-dihydroxyphenyl)acetic acid
Also Known As: 3,4-Dihydroxyphenylacetic acid, Dopac, Dopacetic acid, Homoprotocatechuic acid, 2-(3,4-DIHYDROXYPHENYL)ACETIC 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 | 128.5 |
| Solubility | 4 mg/mL |
| Vapor Pressure | 0.00000082 [mmHg] |
Chemical Identifiers
| CAS Number | 102-32-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)O)O |
| InChIKey | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二羟基苯乙酸 (CAS 102-32-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)acetic acid.
Chemical Property Profile of 3,4-二羟基苯乙酸
Property Insights of 3,4-二羟基苯乙酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二羟基苯乙酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二羟基苯乙酸. Following Lipinski's Rule of Five, 3,4-二羟基苯乙酸 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 3,4-二羟基苯乙酸?
The CAS number of 3,4-二羟基苯乙酸 is 102-32-9.
What is the molecular formula of 3,4-二羟基苯乙酸?
The molecular formula of 3,4-二羟基苯乙酸 is C8H8O4.
What is the molecular weight of 3,4-二羟基苯乙酸?
The molecular weight of 3,4-二羟基苯乙酸 is 168.04 g/mol.
Where can I buy 3,4-二羟基苯乙酸?
You can request a quote for 3,4-二羟基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二羟基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二羟基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.