Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate
TL;DR: Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate (CAS 403-65-6) is a chemical compound with molecular formula C15H19NO4S2 and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-(thiomorpholine-4-carbothioyl)phenyl] acetate
Also Known As: 2-Isopropylamino-1-nitronaphthalin, Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate, 2,6-Dimethoxy-4-(thiomorpholinothiocarbonyl)phenol acetate, 4-(3,5-Dimethoxy-4-hydroxythiobenzoyl)thiomorpholine acetate, Thiomorpholine, 4-(3,5-dimethoxy-4-hydroxythiobenzoyl)-, acetate
| Molecular Formula | C15H19NO4S2 |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.07556 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 403-65-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCSCC2)OC |
| InChIKey | FYHXRXUYDLOVIF-UHFFFAOYSA-N |
Product Overview
Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate (CAS 403-65-6), with molecular formula C15H19NO4S2 and molecular weight 341.08 g/mol. IUPAC: [2,6-dimethoxy-4-(thiomorpholine-4-carbothioyl)phenyl] acetate.
Chemical Property Profile of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate
Property Insights of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate. Following Lipinski's Rule of Five, Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate 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 Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate?
The CAS number of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate is 403-65-6.
What is the molecular formula of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate?
The molecular formula of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate is C15H19NO4S2.
What is the molecular weight of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate?
The molecular weight of Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate is 341.08 g/mol.
Where can I buy Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate?
You can request a quote for Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,6-dimethoxy-4-(thiomorpholinothiocarbonyl)-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.