高香草酸
TL;DR: 高香草酸 (CAS 306-08-1) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
高香草酸
2-(4-hydroxy-3-methoxyphenyl)acetic acid
Also Known As: Homovanillic acid, 4-Hydroxy-3-methoxyphenylacetic acid, Vanillacetic acid, Homovanillate, Vanilacetic acid
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| Melting Point | 138 - 140 °C |
| Solubility | 17 mg/mL |
| Vapor Pressure | 0.00000823 [mmHg] |
Chemical Identifiers
| CAS Number | 306-08-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(=O)O)O |
| InChIKey | QRMZSPFSDQBLIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
高香草酸 (CAS 306-08-1), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 2-(4-hydroxy-3-methoxyphenyl)acetic acid.
Chemical Property Profile of 高香草酸
Property Insights of 高香草酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 高香草酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 高香草酸. Following Lipinski's Rule of Five, 高香草酸 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 高香草酸?
The CAS number of 高香草酸 is 306-08-1.
What is the molecular formula of 高香草酸?
The molecular formula of 高香草酸 is C9H10O4.
What is the molecular weight of 高香草酸?
The molecular weight of 高香草酸 is 182.06 g/mol.
Where can I buy 高香草酸?
You can request a quote for 高香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 高香草酸?
Yes, KEHONG BIO provides custom synthesis services for 高香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.