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Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate
TL;DR: Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate (CAS 698368-18-2) is a chemical compound with molecular formula C12H19N3O3S2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-amino-5-(butylcarbamoyl)-1,3-thiazol-2-yl]sulfanyl]acetate
Also Known As: ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate, Ethyl 2-((4-amino-5-(butylcarbamoyl)thiazol-2-yl)thio)acetate, ethyl 2-{[4-amino-5-(butylcarbamoyl)-1,3-thiazol-2-yl]sulfanyl}acetate, Ethyl ((4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl)thio)acetate, Ethyl 2-[[4-amino-5-(butylcarbamoyl)-1,3-thiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C12H19N3O3S2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 1.9104 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.0868 |
| Heavy Atoms | 20 |
| Complexity | 462.80008 |
Chemical Identifiers
| CAS Number | 698368-18-2 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(N=C(S1)SCC(=O)OCC)N |
Product Overview
Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate (CAS 698368-18-2), with molecular formula C12H19N3O3S2 and molecular weight 317.09 g/mol. IUPAC: ethyl 2-[[4-amino-5-(butylcarbamoyl)-1,3-thiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate
Property Insights of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate
The XLogP value of 1.9104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate. Following Lipinski's Rule of Five, Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate has 2 hydrogen bond donor(s) and 7 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-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate?
The CAS number of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate is 698368-18-2.
What is the molecular formula of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate?
The molecular formula of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate is C12H19N3O3S2.
What is the molecular weight of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate?
The molecular weight of Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate is 317.09 g/mol.
Where can I buy Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate?
You can request a quote for Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ({4-amino-5-[(butylamino)carbonyl]-1,3-thiazol-2-yl}thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.