![ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate structure](/static/products/4027/4027-31-0.webp)
ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate
TL;DR: ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate (CAS 4027-31-0) is a chemical compound with molecular formula C19H29N3O4S3 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate
Also Known As: ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate, ethyl 3-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl)amino]butanoate, Ethyl 3-[(8-thiophen-2-ylsulfonyl3,8-diazaspiro[4.5]decane-3-carbothioyl)amino]butanoate, Ethyl 3-{[8-(thiophene-2-sulfonyl)-2,8-diazaspiro[4.5]decane-2-carbothioyl]amino}butanoate
| Molecular Formula | C19H29N3O4S3 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.4409 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.13202 |
| Heavy Atoms | 29 |
| Complexity | 817.7622 |
Chemical Identifiers
| CAS Number | 4027-31-0 |
|---|---|
| SMILES | CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CS3 |
Product Overview
ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate (CAS 4027-31-0), with molecular formula C19H29N3O4S3 and molecular weight 459.13 g/mol. IUPAC: ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate.
Chemical Property Profile of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate
Property Insights of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate
The XLogP value of 2.4409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate. Following Lipinski's Rule of Five, ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate 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 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate?
The CAS number of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate is 4027-31-0.
What is the molecular formula of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate?
The molecular formula of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate is C19H29N3O4S3.
What is the molecular weight of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate?
The molecular weight of ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate is 459.13 g/mol.
Where can I buy ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate?
You can request a quote for ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decane-2-carbothioyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.