Coumithoate
TL;DR: Coumithoate (CAS 572-48-5) is a chemical compound with molecular formula C17H21O5PS and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Also Known As: Dition, COUMITHOATE, Dithione, Dithion, Chromaphon
| Molecular Formula | C17H21O5PS |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.08472 |
| Heavy Atoms | 24 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 572-48-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 |
| InChIKey | NSMRHYDOKZAMKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumithoate (CAS 572-48-5), with molecular formula C17H21O5PS and molecular weight 368.08 g/mol. IUPAC: 3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
Chemical Property Profile of Coumithoate
Property Insights of Coumithoate
The XLogP value of 4.7 indicates that Coumithoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumithoate. Following Lipinski's Rule of Five, Coumithoate has 0 hydrogen bond donor(s) and 6 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 Coumithoate?
The CAS number of Coumithoate is 572-48-5.
What is the molecular formula of Coumithoate?
The molecular formula of Coumithoate is C17H21O5PS.
What is the molecular weight of Coumithoate?
The molecular weight of Coumithoate is 368.08 g/mol.
Where can I buy Coumithoate?
You can request a quote for Coumithoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumithoate?
Yes, KEHONG BIO provides custom synthesis services for Coumithoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.