![ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate structure](/static/products/7019/701944-75-4.webp)
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 701944-75-4) is a chemical compound with molecular formula C22H26N2O4S2 and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-{[(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)thioxomethyl]amino}-5-methyl-4-ph enylthiophene-3-carboxylate, ethyl 5-methyl-4-phenyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamido)thiophene-3-carboxylate
| Molecular Formula | C22H26N2O4S2 |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.43592 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1334 |
| Heavy Atoms | 30 |
| Complexity | 912.7188 |
Chemical Identifiers
| CAS Number | 701944-75-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4(CC3)OCCO4 |
Product Overview
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 701944-75-4), with molecular formula C22H26N2O4S2 and molecular weight 446.13 g/mol. IUPAC: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 4.43592 indicates that ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate has 1 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 ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 701944-75-4.
What is the molecular formula of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is C22H26N2O4S2.
What is the molecular weight of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 446.13 g/mol.
Where can I buy ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.