Thiophanic acid
TL;DR: Thiophanic acid (CAS 7584-33-0) is a chemical compound with molecular formula C14H6Cl4O5 and molecular weight 393.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Thiophanic acid
2,4,5,7-tetrachloro-1,3,6-trihydroxy-8-methylxanthen-9-one
Also Known As: THIOPHANIC ACID, 2,4,5,7-tetrachloro-1,3,6-trihydroxy-8-methylxanthen-9-one, 2,4,5,7-Tetrachloro-1,3,6-trihydroxy-8-methyl-9H-xanthen-9-one
| Molecular Formula | C14H6Cl4O5 |
|---|---|
| Molecular Weight | 393.90 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 393.89694 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 7584-33-0 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1Cl)O)Cl)OC3=C(C(=C(C(=C3C2=O)O)Cl)O)Cl |
| InChIKey | MYBIAUJNAXMGTF-UHFFFAOYSA-N |
Product Overview
Thiophanic acid (CAS 7584-33-0), with molecular formula C14H6Cl4O5 and molecular weight 393.90 g/mol. IUPAC: 2,4,5,7-tetrachloro-1,3,6-trihydroxy-8-methylxanthen-9-one.
Chemical Property Profile of Thiophanic acid
Property Insights of Thiophanic acid
The XLogP value of 5.3 indicates that Thiophanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophanic acid. Following Lipinski's Rule of Five, Thiophanic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiophanic acid?
The CAS number of Thiophanic acid is 7584-33-0.
What is the molecular formula of Thiophanic acid?
The molecular formula of Thiophanic acid is C14H6Cl4O5.
What is the molecular weight of Thiophanic acid?
The molecular weight of Thiophanic acid is 393.90 g/mol.
Where can I buy Thiophanic acid?
You can request a quote for Thiophanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophanic acid?
Yes, KEHONG BIO provides custom synthesis services for Thiophanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.