RefChem:233576
TL;DR: RefChem:233576 (CAS 28000-65-9) is a chemical compound with molecular formula C18H36ClN3O4 and molecular weight 393.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[2-[butyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride, 4-(2-(Butylcarboxyamino)ethyl)-1-piperazinecarboxylic acid diisopropyl ester hydrochloride, propan-2-yl 4-(2-{butyl[(propan-2-yloxy)carbonyl]amino}ethyl)piperazine-1-carboxylate hydrochloride(1:1), 1-Piperazinecarboxylicacid, 4-[2-[butyl[(1-methylethoxy)carbonyl]amino]ethyl]-, 1-methylethyl ester,hydrochloride (1:1), Propan-2-yl 4-[2-(butyl{[(propan-2-yl)oxy]carbonyl}amino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C18H36ClN3O4 |
|---|---|
| Molecular Weight | 393.24 g/mol |
| LogP | 3.2179 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.23944 |
| Heavy Atoms | 26 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 28000-65-9 |
|---|---|
| SMILES | CCCCN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C.Cl |
| InChIKey | RSGYNYGHJXMTLB-UHFFFAOYSA-N |
Product Overview
RefChem:233576 (CAS 28000-65-9), with molecular formula C18H36ClN3O4 and molecular weight 393.24 g/mol. IUPAC: propan-2-yl 4-[2-[butyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:233576
Property Insights of RefChem:233576
The XLogP value of 3.2179 indicates that RefChem:233576 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 RefChem:233576. Following Lipinski's Rule of Five, RefChem:233576 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 RefChem:233576?
The CAS number of RefChem:233576 is 28000-65-9.
What is the molecular formula of RefChem:233576?
The molecular formula of RefChem:233576 is C18H36ClN3O4.
What is the molecular weight of RefChem:233576?
The molecular weight of RefChem:233576 is 393.24 g/mol.
Where can I buy RefChem:233576?
You can request a quote for RefChem:233576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233576?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.