Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate (CAS 385403-40-7) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv2_001023, IFLab1_004062, methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate, methyl 4-methyl-2-(phenylamino)-1,3-thiazole-5-carboxylate, 2-anilino-4-methyl-5-thiazolecarboxylic acid methyl ester
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.98172 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 522.5568 |
Chemical Identifiers
| CAS Number | 385403-40-7 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate (CAS 385403-40-7), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 2.98172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate. With a topological polar surface area (TPSA) of 51.22 Ų, Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-anilino-4-methyl-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 Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate is 385403-40-7.
What is the molecular formula of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate is C12H12N2O2S.
What is the molecular weight of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate is 248.06 g/mol.
Where can I buy Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 2-anilino-4-methyl-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-anilino-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.