RefChem:1084913
TL;DR: RefChem:1084913 (CAS 78219-25-7) is a chemical compound with molecular formula C18H26BrNO4 and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-benzoyloxy-1-propan-2-ylpiperidine-3-carboxylate;hydrobromide
Also Known As: Benzoic acid, 1-isopropyl-3-carbethoxy-4-piperidyl ester hydrobromide, 3-Piperidinecarboxylic acid, 4-hydroxy-1-isopropyl-, ethyl ester, benzoate (ester), hydrobromide, Ethyl 4-(benzoyloxy)-1-(propan-2-yl)piperidine-3-carboxylate--hydrogen bromide (1/1), ethyl 4-benzoyloxy-1-propan-2-ylpiperidine-3-carboxylate hydrobromide, 3-Piperidinecarboxylic acid, 4-(benzoyloxy)-1-(1-methylethyl)-, ethyl ester, hydrobromide
| Molecular Formula | C18H26BrNO4 |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 3.0833 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.10452 |
| Heavy Atoms | 24 |
| Complexity | 535.08014 |
Chemical Identifiers
| CAS Number | 78219-25-7 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1OC(=O)C2=CC=CC=C2)C(C)C.Br |
Product Overview
RefChem:1084913 (CAS 78219-25-7), with molecular formula C18H26BrNO4 and molecular weight 399.10 g/mol. IUPAC: ethyl 4-benzoyloxy-1-propan-2-ylpiperidine-3-carboxylate;hydrobromide.
Chemical Property Profile of RefChem:1084913
Property Insights of RefChem:1084913
The XLogP value of 3.0833 indicates that RefChem:1084913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:1084913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084913 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:1084913?
The CAS number of RefChem:1084913 is 78219-25-7.
What is the molecular formula of RefChem:1084913?
The molecular formula of RefChem:1084913 is C18H26BrNO4.
What is the molecular weight of RefChem:1084913?
The molecular weight of RefChem:1084913 is 399.10 g/mol.
Where can I buy RefChem:1084913?
You can request a quote for RefChem:1084913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.