2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride
TL;DR: 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride (CAS 86819-30-9) is a chemical compound with molecular formula C27H35ClN2O6 and molecular weight 518.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-carbamoylpiperidin-1-yl)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride
Also Known As: 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride, Butanedioic acid, mono(1-((4-(aminocarbonyl)-1-piperidinyl)methyl)-2-(2-(2-phenylethyl)phenoxy)ethyl) ester, monohydrochloride, 4-[1-(4-carbamoylpiperidin-1-yl)-3-[2-(2-phenylethyl)phenoxy, 4-[(1-{4-[Hydroxy(imino)methyl]piperidin-1-yl}-3-[2-(2-phenylethyl)phenoxy]propan-2-yl)oxy]-4-oxobutanoic acid--hydrogen chloride (1/1), 4-[1-(4-carbamoylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxobutanoic acid hydrochloride
| Molecular Formula | C27H35ClN2O6 |
|---|---|
| Molecular Weight | 518.22 g/mol |
| LogP | 3.2463 |
| Topological Polar Surface Area | 119.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 518.2184 |
| Heavy Atoms | 36 |
| Complexity | 979.239 |
Chemical Identifiers
| CAS Number | 86819-30-9 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O.Cl |
Product Overview
2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride (CAS 86819-30-9), with molecular formula C27H35ClN2O6 and molecular weight 518.22 g/mol. IUPAC: 4-[1-(4-carbamoylpiperidin-1-yl)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride.
Chemical Property Profile of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride
Property Insights of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride
The XLogP value of 3.2463 indicates that 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride. Following Lipinski's Rule of Five, 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride?
The CAS number of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride is 86819-30-9.
What is the molecular formula of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride?
The molecular formula of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride is C27H35ClN2O6.
What is the molecular weight of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride?
The molecular weight of 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride is 518.22 g/mol.
Where can I buy 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride?
You can request a quote for 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Carbamoylpiperidino)-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.