丁香酸
TL;DR: 丁香酸 (CAS 530-57-4) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香酸
4-hydroxy-3,5-dimethoxybenzoic acid
Also Known As: SYRINGIC ACID, 4-Hydroxy-3,5-dimethoxybenzoic acid, Cedar acid, 3,5-Dimethoxy-4-hydroxybenzoic acid, Syringicacid
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| Melting Point | 206 - 209 °C |
| Boiling Point | 440.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.00000291 [mmHg] |
Chemical Identifiers
| CAS Number | 530-57-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C(=O)O |
| InChIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁香酸 (CAS 530-57-4), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 4-hydroxy-3,5-dimethoxybenzoic acid.
Chemical Property Profile of 丁香酸
Property Insights of 丁香酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁香酸. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁香酸. Following Lipinski's Rule of Five, 丁香酸 has 2 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 丁香酸?
The CAS number of 丁香酸 is 530-57-4.
What is the molecular formula of 丁香酸?
The molecular formula of 丁香酸 is C9H10O5.
What is the molecular weight of 丁香酸?
The molecular weight of 丁香酸 is 198.05 g/mol.
Where can I buy 丁香酸?
You can request a quote for 丁香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香酸?
Yes, KEHONG BIO provides custom synthesis services for 丁香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.