Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
TL;DR: Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate (CAS 38648-84-9) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate
Also Known As: methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate, methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate, 4-Thiazolecarboxylicacid, 4,5-dihydro-5,5-dimethyl-2-phenyl-, methyl ester, 5,5-dimethyl-2-phenyl-4,5-dihydro-thiazole-4-carboxylic acid methyl ester, RefChem:355861
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 38648-84-9 |
|---|---|
| SMILES | CC1(C(N=C(S1)C2=CC=CC=C2)C(=O)OC)C |
| InChIKey | RJEFVUNCKUZKDX-UHFFFAOYSA-N |
Product Overview
Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate (CAS 38648-84-9), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
Property Insights of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The CAS number of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate is 38648-84-9.
What is the molecular formula of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The molecular formula of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate is C13H15NO2S.
What is the molecular weight of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The molecular weight of Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate is 249.08 g/mol.
Where can I buy Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
You can request a quote for Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-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 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.