1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester (CAS 5509-82-0) is a chemical compound with molecular formula C10H20N2O5S and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid
Also Known As: 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester, 5-23-02-00380 (Beilstein Handbook Reference), 3-(1-Carbaethoxy-piperazino-4)-propansulfonsaeure-betain, 3-(1-Carbaethoxy-piperazino-4)-propansulfonsaeure-betain [German], 3-[4-(ethoxycarbonyl)piperazin-1-yl]propane-1-sulfonic acid
| Molecular Formula | C10H20N2O5S |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.10928 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 5509-82-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCCS(=O)(=O)O |
| InChIKey | BVWZIUGZDCXIIB-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester (CAS 5509-82-0), with molecular formula C10H20N2O5S and molecular weight 280.11 g/mol. IUPAC: 3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
The XLogP value of -2.7 indicates that 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 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-(3-sulfopropyl)-, ethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester is 5509-82-0.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester is C10H20N2O5S.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester is 280.11 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester 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-(3-sulfopropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.