原儿茶酸
TL;DR: 原儿茶酸 (CAS 99-50-3) is a chemical compound with molecular formula C7H6O4 and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原儿茶酸
3,4-dihydroxybenzoic acid
Also Known As: protocatechuic acid, 3,4-DIHYDROXYBENZOIC ACID, protocatechuate, Protocatehuic acid, 3,4-dihydroxybenzoate
| Molecular Formula | C7H6O4 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02661 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| Melting Point | 221 |
| Solubility | 18200 |
| Vapor Pressure | 0.0000021 [mmHg] |
Chemical Identifiers
| CAS Number | 99-50-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)O)O |
| InChIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
原儿茶酸 (CAS 99-50-3), with molecular formula C7H6O4 and molecular weight 154.03 g/mol. IUPAC: 3,4-dihydroxybenzoic acid.
Chemical Property Profile of 原儿茶酸
Property Insights of 原儿茶酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 原儿茶酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 原儿茶酸. Following Lipinski's Rule of Five, 原儿茶酸 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 原儿茶酸?
The CAS number of 原儿茶酸 is 99-50-3.
What is the molecular formula of 原儿茶酸?
The molecular formula of 原儿茶酸 is C7H6O4.
What is the molecular weight of 原儿茶酸?
The molecular weight of 原儿茶酸 is 154.03 g/mol.
Where can I buy 原儿茶酸?
You can request a quote for 原儿茶酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原儿茶酸?
Yes, KEHONG BIO provides custom synthesis services for 原儿茶酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.