4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride
TL;DR: 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride (CAS 27962-06-7) is a chemical compound with molecular formula C15H32ClN3O2 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride, 1-Piperazinecarboxylic acid, 4-(2-(pentylamino)ethyl)-, isopropyl ester, hydrochloride, propan-2-yl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate hydrochloride(1:1), 1-Piperazinecarboxylicacid, 4-[2-(pentylamino)ethyl]-, 1-methylethyl ester, hydrochloride (1:1), propan-2-yl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate hydrochloride
| Molecular Formula | C15H32ClN3O2 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 2.3506 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.2183 |
| Heavy Atoms | 21 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 27962-06-7 |
|---|---|
| SMILES | CCCCCNCCN1CCN(CC1)C(=O)OC(C)C.Cl |
| InChIKey | PNWPQBUYDKLUFZ-UHFFFAOYSA-N |
Product Overview
4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride (CAS 27962-06-7), with molecular formula C15H32ClN3O2 and molecular weight 321.22 g/mol. IUPAC: propan-2-yl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride
Property Insights of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride
The XLogP value of 2.3506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride. With a topological polar surface area (TPSA) of 44.8 Ų, 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride has 2 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 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride?
The CAS number of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride is 27962-06-7.
What is the molecular formula of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride?
The molecular formula of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride is C15H32ClN3O2.
What is the molecular weight of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride?
The molecular weight of 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride is 321.22 g/mol.
Where can I buy 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride?
You can request a quote for 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Pentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.