RefChem:1068521
TL;DR: RefChem:1068521 (CAS 78219-27-9) is a chemical compound with molecular formula C18H26ClNO4 and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-benzoyloxy-1-propylpiperidine-3-carboxylate;hydrochloride
Also Known As: Benzoic acid, 1-propyl-3-carbethoxy-4-piperidyl ester hydrochloride, 3-Piperidinecarboxylic acid, 4-hydroxy-1-propyl-, ethyl ester, benzoate (ester), hydrochloride, ethyl 4-benzoyloxy-1-propylpiperidine-3-carboxylate hydrochloride, ethyl 4-benzoyloxy-1-propyl-piperidine-3-carboxylate hydrochloride, ethyl 4-benzoyloxy-1-propylpiperidine-3-carboxylate,hydrochloride
| Molecular Formula | C18H26ClNO4 |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 2.9288 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.15503 |
| Heavy Atoms | 24 |
| Complexity | 523.0099 |
Chemical Identifiers
| CAS Number | 78219-27-9 |
|---|---|
| SMILES | CCCN1CCC(C(C1)C(=O)OCC)OC(=O)C2=CC=CC=C2.Cl |
Product Overview
RefChem:1068521 (CAS 78219-27-9), with molecular formula C18H26ClNO4 and molecular weight 355.16 g/mol. IUPAC: ethyl 4-benzoyloxy-1-propylpiperidine-3-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1068521
Property Insights of RefChem:1068521
The XLogP value of 2.9288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068521. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:1068521 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068521 has 0 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:1068521?
The CAS number of RefChem:1068521 is 78219-27-9.
What is the molecular formula of RefChem:1068521?
The molecular formula of RefChem:1068521 is C18H26ClNO4.
What is the molecular weight of RefChem:1068521?
The molecular weight of RefChem:1068521 is 355.16 g/mol.
Where can I buy RefChem:1068521?
You can request a quote for RefChem:1068521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068521?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.