Erdin, (+-)-
TL;DR: Erdin, (+-)- (CAS 3405-51-4) is a chemical compound with molecular formula C16H10Cl2O7 and molecular weight 383.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylic acid
Also Known As: Erdin, DL-Erdin, Erdin [MI], (+)-Erdin, Erdin, (+/-)-
| Molecular Formula | C16H10Cl2O7 |
|---|---|
| Molecular Weight | 383.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.98035 |
| Heavy Atoms | 25 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 3405-51-4 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1Cl)OC3(C2=O)C(=CC(=O)C=C3OC)C(=O)O)O)Cl |
| InChIKey | BAJDPELVDLJCSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Erdin, (+-)- (CAS 3405-51-4), with molecular formula C16H10Cl2O7 and molecular weight 383.98 g/mol. IUPAC: 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylic acid.
Chemical Property Profile of Erdin, (+-)-
Property Insights of Erdin, (+-)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erdin, (+-)-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Erdin, (+-)-. Following Lipinski's Rule of Five, Erdin, (+-)- has 2 hydrogen bond donor(s) and 7 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 Erdin, (+-)-?
The CAS number of Erdin, (+-)- is 3405-51-4.
What is the molecular formula of Erdin, (+-)-?
The molecular formula of Erdin, (+-)- is C16H10Cl2O7.
What is the molecular weight of Erdin, (+-)-?
The molecular weight of Erdin, (+-)- is 383.98 g/mol.
Where can I buy Erdin, (+-)-?
You can request a quote for Erdin, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erdin, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Erdin, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.