Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate
TL;DR: Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate (CAS 65095-75-2) is a chemical compound with molecular formula C9H12N2O3S2 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate
Also Known As: Maybridge3_001719, Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate, ETHYL3- -3-OXOPROPANOATE, POTASSIUMDIPHOSPHATEEXTRAPURE, IDI1_013106
| Molecular Formula | C9H12N2O3S2 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 1.5831 |
| Topological Polar Surface Area | 82.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.02893 |
| Heavy Atoms | 16 |
| Complexity | 403.4584 |
Chemical Identifiers
| CAS Number | 65095-75-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(N=C(S1)SC)N |
Product Overview
Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate (CAS 65095-75-2), with molecular formula C9H12N2O3S2 and molecular weight 260.03 g/mol. IUPAC: ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate
Property Insights of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate
The XLogP value of 1.5831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate. The TPSA of 82.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate has 1 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 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate?
The CAS number of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate is 65095-75-2.
What is the molecular formula of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate is C9H12N2O3S2.
What is the molecular weight of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate is 260.03 g/mol.
Where can I buy Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-amino-2-methylthiothiazol-5-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.