1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate
TL;DR: 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate (CAS 57165-49-8) is a chemical compound with molecular formula C29H35NO11 and molecular weight 573.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,5-bis(1,3-benzodioxol-5-yl)pentan-3-yl]pyrrolidine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate, Pyrrolidine, 1-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt), 1-[1,5-bis(1,3-benzodioxol-5-yl)pentan-3-yl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[1,5-bis(2H-1,3-benzodioxol-5-yl)pentan-3-yl]pyrrolidine (1/1), RefChem:378000
| Molecular Formula | C29H35NO11 |
|---|---|
| Molecular Weight | 573.22 g/mol |
| LogP | 2.9253 |
| Topological Polar Surface Area | 172.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 573.221 |
| Heavy Atoms | 41 |
| Complexity | 1163.7637 |
Chemical Identifiers
| CAS Number | 57165-49-8 |
|---|---|
| SMILES | C1CCN(C1)C(CCC2=CC3=C(C=C2)OCO3)CCC4=CC5=C(C=C4)OCO5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate (CAS 57165-49-8), with molecular formula C29H35NO11 and molecular weight 573.22 g/mol. IUPAC: 1-[1,5-bis(1,3-benzodioxol-5-yl)pentan-3-yl]pyrrolidine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate
Property Insights of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate
The XLogP value of 2.9253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate. The TPSA of 172.29 Ų indicates high polarity, suggesting 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate?
The CAS number of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate is 57165-49-8.
What is the molecular formula of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate?
The molecular formula of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate is C29H35NO11.
What is the molecular weight of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate?
The molecular weight of 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate is 573.22 g/mol.
Where can I buy 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate?
You can request a quote for 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-Bis(3,4-methylenedioxyphenyl)-3-pentyl)pyrrolidine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.