Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
TL;DR: Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester (CAS 109187-85-1) is a chemical compound with molecular formula C13H21ClN2O2S and molecular weight 304.10123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate chloride
Also Known As: 4-Carboxy-1-methyl-1-(2-thenyl)piperazinium chloride ethyl ester, Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester, 4-(Ethoxycarbonyl)-1-methyl-1-[(thiophen-2-yl)methyl]piperazin-1-ium chloride, ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate chloride
Technical Specifications
| Molecular Formula | C13H21ClN2O2S |
| Molecular Weight | 304.10123 g/mol |
| XLogP | -0.8292 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.10123 Da |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
| SMILES | CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CS2.[Cl-] |
| InChIKey | QFOVGIPFQUOWSD-UHFFFAOYSA-M |
Chemical Property Profile of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
Property Insights of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
The XLogP value of -0.8292 indicates that Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.8 Ų, Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester 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
What is the CAS number of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester?
The CAS number of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester is 109187-85-1.
What is the molecular formula of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester?
The molecular formula of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester is C13H21ClN2O2S.
What is the molecular weight of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester?
The molecular weight of Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester is 304.10123 g/mol.
Where can I buy Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester?
You can request a quote for Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.