1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride
TL;DR: 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride (CAS 28004-83-3) is a chemical compound with molecular formula C14H30ClN3O2 and molecular weight 307.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride, 4-(2-(Isobutylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride, propan-2-yl 4-{2-[(2-methylpropyl)amino]ethyl}piperazine-1-carboxylate hydrochloride(1:1), propan-2-yl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate hydrochloride, propan-2-yl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate,hydrochloride
| Molecular Formula | C14H30ClN3O2 |
|---|---|
| Molecular Weight | 307.20 g/mol |
| LogP | 1.8164 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.20267 |
| Heavy Atoms | 20 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 28004-83-3 |
|---|---|
| SMILES | CC(C)CNCCN1CCN(CC1)C(=O)OC(C)C.Cl |
| InChIKey | TYMPXTAMFARSCG-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride (CAS 28004-83-3), with molecular formula C14H30ClN3O2 and molecular weight 307.20 g/mol. IUPAC: propan-2-yl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride
Property Insights of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride
The XLogP value of 1.8164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride. With a topological polar surface area (TPSA) of 44.8 Ų, 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, 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 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride?
The CAS number of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride is 28004-83-3.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride is C14H30ClN3O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride is 307.20 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, 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 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(2-(isobutylamino)ethyl)-, isopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.