Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate
TL;DR: Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate (CAS 125602-70-2) is a chemical compound with molecular formula C30H37ClN2O6S and molecular weight 588.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate;4-methylbenzenesulfonic acid
Also Known As: Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate, 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-, ethyl ester, mono(4-methylbenzenesulfonate), rac Bepotastine Ethyl Ester p-Toluenesulfonate Salt, ethyl 4-[4-[(4-chlorophenyl)-2-pyridylmethoxy]-1-piperidyl]butanoate p-toluenesulfonate, 4-Methylbenzene-1-sulfonic acid--ethyl 4-{4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoate (1/1)
| Molecular Formula | C30H37ClN2O6S |
|---|---|
| Molecular Weight | 588.21 g/mol |
| LogP | 5.89042 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.2061 |
| Heavy Atoms | 40 |
| Complexity | 1280.039 |
Chemical Identifiers
| CAS Number | 125602-70-2 |
|---|---|
| SMILES | CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate (CAS 125602-70-2), with molecular formula C30H37ClN2O6S and molecular weight 588.21 g/mol. IUPAC: ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate
Property Insights of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate
The XLogP value of 5.89042 indicates that Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate. Following Lipinski's Rule of Five, Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate?
The CAS number of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate is 125602-70-2.
What is the molecular formula of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate?
The molecular formula of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate is C30H37ClN2O6S.
What is the molecular weight of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate?
The molecular weight of Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate is 588.21 g/mol.
Where can I buy Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate?
You can request a quote for Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.