Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate
TL;DR: Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate (CAS 1007921-47-2) is a chemical compound with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(2-cyanoacetyl)-1,3-thiazolidine-2,4-dicarboxylate
Also Known As: dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate, dimethyl 3-(2-cyanoacetyl)-1,3-thiazolidine-2,4-dicarboxylate, 2,4-dimethyl 3-(2-cyanoacetyl)-1,3-thiazolidine-2,4-dicarboxylate, 2,4-dimethyl3-(2-cyanoacetyl)-1,3-thiazolidine-2,4-dicarboxylate
| Molecular Formula | C10H12N2O5S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | -0.48382 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0467 |
| Heavy Atoms | 18 |
| Complexity | 381.56244 |
Chemical Identifiers
| CAS Number | 1007921-47-2 |
|---|---|
| SMILES | COC(=O)C1CSC(N1C(=O)CC#N)C(=O)OC |
Product Overview
Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate (CAS 1007921-47-2), with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol. IUPAC: dimethyl 3-(2-cyanoacetyl)-1,3-thiazolidine-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate
Property Insights of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate
The XLogP value of -0.48382 indicates that Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate has 0 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 Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate?
The CAS number of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate is 1007921-47-2.
What is the molecular formula of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate is C10H12N2O5S.
What is the molecular weight of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate is 272.05 g/mol.
Where can I buy Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-(2-cyanoacetyl)-1,3-thiazolane-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.