1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate
TL;DR: 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate (CAS 478247-82-4) is a chemical compound with molecular formula C9H7NO2S2 and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazol-5-ylmethyl thiophene-2-carboxylate
Also Known As: 1,3-thiazol-5-ylmethyl 2-thiophenecarboxylate, 1,3-thiazol-5-ylmethyl thiophene-2-carboxylate, (1,3-thiazol-5-yl)methyl thiophene-2-carboxylate, (1,3-thiazol-5-yl)methylthiophene-2-carboxylate
| Molecular Formula | C9H7NO2S2 |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 2.5616 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.99182 |
| Heavy Atoms | 14 |
| Complexity | 394.38574 |
Chemical Identifiers
| CAS Number | 478247-82-4 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OCC2=CN=CS2 |
Product Overview
1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate (CAS 478247-82-4), with molecular formula C9H7NO2S2 and molecular weight 224.99 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl thiophene-2-carboxylate.
Chemical Property Profile of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate
Property Insights of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate
The XLogP value of 2.5616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 5 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 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate?
The CAS number of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate is 478247-82-4.
What is the molecular formula of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate?
The molecular formula of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate is C9H7NO2S2.
What is the molecular weight of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate?
The molecular weight of 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate is 224.99 g/mol.
Where can I buy 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate?
You can request a quote for 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Thiazol-5-ylmethyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.