Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
TL;DR: Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate (CAS 354550-50-8) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
Also Known As: benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate, BAS 03356389, AL-281/15328167, benzyl 4-methyl-2-(methylamino)thiazole-5-carboxylate, 4-Methyl-2-methylamino-thiazole-5-carboxylic acid benzyl ester
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 354550-50-8 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC)C(=O)OCC2=CC=CC=C2 |
| InChIKey | NTTORKPXEGRXKB-UHFFFAOYSA-N |
Product Overview
Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate (CAS 354550-50-8), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
Property Insights of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
The XLogP value of 3.4 indicates that Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate has 1 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 Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The CAS number of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is 354550-50-8.
What is the molecular formula of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The molecular formula of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is C13H14N2O2S.
What is the molecular weight of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The molecular weight of Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is 262.08 g/mol.
Where can I buy Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
You can request a quote for Benzyl 4-methyl-2-(methylamino)-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 Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.