1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride
TL;DR: 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride (CAS 532-78-5) is a chemical compound with molecular formula C8H17ClN2O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylpiperazine-1-carboxylate;hydrochloride
Also Known As: 1-Carbethoxy-4-methylpiperazine hydrochloride, 1-Ethoxycarbonyl-4-methylpiperazine hydrochloride, 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride, ethyl 4-methylpiperazine-1-carboxylate hydrochloride, ethyl 4-methylpiperazine-1-carboxylate hydrochloride(1:1)
| Molecular Formula | C8H17ClN2O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.81 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09785 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 532-78-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C.Cl |
| InChIKey | PEOJOJMLYILUTC-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride (CAS 532-78-5), with molecular formula C8H17ClN2O2 and molecular weight 208.10 g/mol. IUPAC: ethyl 4-methylpiperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride
Property Insights of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride?
The CAS number of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride is 532-78-5.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride?
The molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride is C8H17ClN2O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride?
The molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride is 208.10 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride?
You can request a quote for 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.