Methyl 2-nitro-1,3-thiazole-5-carboxylate
TL;DR: Methyl 2-nitro-1,3-thiazole-5-carboxylate (CAS 5231-53-8) is a chemical compound with molecular formula C5H4N2O4S and molecular weight 187.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-nitro-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-nitro-1,3-thiazole-5-carboxylate
| Molecular Formula | C5H4N2O4S |
|---|---|
| Molecular Weight | 187.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.98918 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 5231-53-8 |
|---|---|
| SMILES | COC(=O)C1=CN=C(S1)[N+](=O)[O-] |
| InChIKey | HWJAGMPEGSTTCY-UHFFFAOYSA-N |
Product Overview
Methyl 2-nitro-1,3-thiazole-5-carboxylate (CAS 5231-53-8), with molecular formula C5H4N2O4S and molecular weight 187.99 g/mol. IUPAC: methyl 2-nitro-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 2-nitro-1,3-thiazole-5-carboxylate
Property Insights of Methyl 2-nitro-1,3-thiazole-5-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-nitro-1,3-thiazole-5-carboxylate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-nitro-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 2-nitro-1,3-thiazole-5-carboxylate has 0 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 Methyl 2-nitro-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 2-nitro-1,3-thiazole-5-carboxylate is 5231-53-8.
What is the molecular formula of Methyl 2-nitro-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 2-nitro-1,3-thiazole-5-carboxylate is C5H4N2O4S.
What is the molecular weight of Methyl 2-nitro-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 2-nitro-1,3-thiazole-5-carboxylate is 187.99 g/mol.
Where can I buy Methyl 2-nitro-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 2-nitro-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-nitro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-nitro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.