Methyl 2-[3,3-thiazole-4-carboxylate
TL;DR: Methyl 2-[3,3-thiazole-4-carboxylate (CAS 86394-83-4) is a chemical compound with molecular formula C10H13NO6S and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxylate
Also Known As: Methyl 2-[3,3-thiazole-4-carboxylate, 1,4-Anhydro-1-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pentitol, methyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxylate, Methyl 2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-thiazole-4-carboxylate, methyl 2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carboxylate
| Molecular Formula | C10H13NO6S |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.04636 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 86394-83-4 |
|---|---|
| SMILES | COC(=O)C1=CSC(=N1)C2C(C(C(O2)CO)O)O |
| InChIKey | VAZMWZPZBBMCQF-UHFFFAOYSA-N |
Product Overview
Methyl 2-[3,3-thiazole-4-carboxylate (CAS 86394-83-4), with molecular formula C10H13NO6S and molecular weight 275.05 g/mol. IUPAC: methyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Methyl 2-[3,3-thiazole-4-carboxylate
Property Insights of Methyl 2-[3,3-thiazole-4-carboxylate
The XLogP value of -0.8 indicates that Methyl 2-[3,3-thiazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[3,3-thiazole-4-carboxylate has 3 hydrogen bond donor(s) and 8 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-[3,3-thiazole-4-carboxylate?
The CAS number of Methyl 2-[3,3-thiazole-4-carboxylate is 86394-83-4.
What is the molecular formula of Methyl 2-[3,3-thiazole-4-carboxylate?
The molecular formula of Methyl 2-[3,3-thiazole-4-carboxylate is C10H13NO6S.
What is the molecular weight of Methyl 2-[3,3-thiazole-4-carboxylate?
The molecular weight of Methyl 2-[3,3-thiazole-4-carboxylate is 275.05 g/mol.
Where can I buy Methyl 2-[3,3-thiazole-4-carboxylate?
You can request a quote for Methyl 2-[3,3-thiazole-4-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-[3,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.