1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride
TL;DR: 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride (CAS 28027-78-3) is a chemical compound with molecular formula C20H32ClN3O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[2-(N-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride, 4-(2-(N-Carboxyanilino)ethyl)-1-piperazinecarboxylic acid diisopropyl ester hydrochloride, propan-2-yl 4-(2-{phenyl[(propan-2-yloxy)carbonyl]amino}ethyl)piperazine-1-carboxylate hydrochloride(1:1), 1-Piperazinecarboxylicacid, 4-[2-[[(1-methylethoxy)carbonyl]phenylamino]ethyl]-, 1-methylethyl ester,hydrochloride (1:1), propan-2-yl 4-[2-(N-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate hydrochloride
| Molecular Formula | C20H32ClN3O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 3.6224 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.20813 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 28027-78-3 |
|---|---|
| SMILES | CC(C)OC(=O)N1CCN(CC1)CCN(C2=CC=CC=C2)C(=O)OC(C)C.Cl |
| InChIKey | XDRPEQKYNCQKTP-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride (CAS 28027-78-3), with molecular formula C20H32ClN3O4 and molecular weight 413.21 g/mol. IUPAC: propan-2-yl 4-[2-(N-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride
Property Insights of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride
The XLogP value of 3.6224 indicates that 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride has 1 hydrogen bond donor(s) and 5 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-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride?
The CAS number of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride is 28027-78-3.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride is C20H32ClN3O4.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride is 413.21 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl 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-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(2-(N-carboxyanilino)ethyl)-, diisopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.