RefChem:233595
TL;DR: RefChem:233595 (CAS 27972-34-5) is a chemical compound with molecular formula C17H34ClN3O2 and molecular weight 347.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, cyclohexyl ester, hydrochloride, 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid cyclohexyl ester hydrochloride, cyclohexyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate hydrochloride(1:1), cyclohexyl 4-(2-diethylaminoethyl)piperazine-1-carboxylate hydrochloride, cyclohexyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate,hydrochloride
| Molecular Formula | C17H34ClN3O2 |
|---|---|
| Molecular Weight | 347.23 g/mol |
| LogP | 2.8369 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.23395 |
| Heavy Atoms | 23 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 27972-34-5 |
|---|---|
| SMILES | CCN(CC)CCN1CCN(CC1)C(=O)OC2CCCCC2.Cl |
| InChIKey | LITAZPVHASWWFJ-UHFFFAOYSA-N |
Product Overview
RefChem:233595 (CAS 27972-34-5), with molecular formula C17H34ClN3O2 and molecular weight 347.23 g/mol. IUPAC: cyclohexyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:233595
Property Insights of RefChem:233595
The XLogP value of 2.8369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233595. With a topological polar surface area (TPSA) of 36.0 Ų, RefChem:233595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233595 has 1 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 RefChem:233595?
The CAS number of RefChem:233595 is 27972-34-5.
What is the molecular formula of RefChem:233595?
The molecular formula of RefChem:233595 is C17H34ClN3O2.
What is the molecular weight of RefChem:233595?
The molecular weight of RefChem:233595 is 347.23 g/mol.
Where can I buy RefChem:233595?
You can request a quote for RefChem:233595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.