![Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate structure](/static/products/7082/708218-10-4.webp)
Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate
TL;DR: Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate (CAS 708218-10-4) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoate
Also Known As: ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamido)benzoate, ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoate, ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate, ethyl 4-{[(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)thioxomethyl]amino}benzoate
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.399 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 589.11304 |
Chemical Identifiers
| CAS Number | 708218-10-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)OCCO3 |
Product Overview
Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate (CAS 708218-10-4), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate
Property Insights of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate
The XLogP value of 2.399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate?
The CAS number of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate is 708218-10-4.
What is the molecular formula of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate?
The molecular formula of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate is C17H22N2O4S.
What is the molecular weight of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate?
The molecular weight of Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate is 350.13 g/mol.
Where can I buy Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate?
You can request a quote for Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.