![[6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate structure](/static/products/876/87669-69-0.png)
[6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate
TL;DR: [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate (CAS 87669-69-0) is a chemical compound with molecular formula C17H20Cl2N2O3S2 and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate
Also Known As: [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate|[6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl|[6,8-dichloro-3-(morpholinomethyl)-4-oxo-chroman-3-yl] N,N-dimethylcarbamodithioate|6,8-Dichloro-3-(morpholin-4-ylmethyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl dimethyldithiocarbamate|6,8-Dichloro-3-[(morpholin-4-yl)methyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl dimethylcarbamodithioate
| Molecular Formula | C17H20Cl2N2O3S2 |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.02924 |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 87669-69-0 |
|---|---|
| SMILES | CN(C)C(=S)SC1(COC2=C(C1=O)C=C(C=C2Cl)Cl)CN3CCOCC3 |
| InChIKey | MQTGMMAAABJPSK-UHFFFAOYSA-N |
Product Overview
[6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate (CAS 87669-69-0), with molecular formula C17H20Cl2N2O3S2 and molecular weight 434.03 g/mol. IUPAC: [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate.
Chemical Property Profile of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate
Property Insights of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate
The XLogP value of 3.3 indicates that [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate. Following Lipinski's Rule of Five, [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate 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 [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate?
The CAS number of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate is 87669-69-0.
What is the molecular formula of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate?
The molecular formula of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate is C17H20Cl2N2O3S2.
What is the molecular weight of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate?
The molecular weight of [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate is 434.03 g/mol.
Where can I buy [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate?
You can request a quote for [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for [6,8-dichloro-3-(morpholin-4-ylmethyl)-4-oxo-2H-chromen-3-yl] N,N-dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.