Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate
TL;DR: Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate (CAS 64246-01-1) is a chemical compound with molecular formula C27H31NO13 and molecular weight 577.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-yl]pyrrolidine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate, 1-(1,3-Bis(3,4-(methylenedioxy)phenoxy)-2-propyl)pyrrolidine citrate, 1,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citrato [Italian], 1,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citrato, 1-[1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-yl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C27H31NO13 |
|---|---|
| Molecular Weight | 577.18 g/mol |
| LogP | 1.8177 |
| Topological Polar Surface Area | 190.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 577.17957 |
| Heavy Atoms | 41 |
| Complexity | 1166.2112 |
Chemical Identifiers
| CAS Number | 64246-01-1 |
|---|---|
| SMILES | C1CCN(C1)C(COC2=CC3=C(C=C2)OCO3)COC4=CC5=C(C=C4)OCO5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate (CAS 64246-01-1), with molecular formula C27H31NO13 and molecular weight 577.18 g/mol. IUPAC: 1-[1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-yl]pyrrolidine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate
Property Insights of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate
The XLogP value of 1.8177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate. The TPSA of 190.75 Ų indicates high polarity, suggesting Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate?
The CAS number of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate is 64246-01-1.
What is the molecular formula of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate?
The molecular formula of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate is C27H31NO13.
What is the molecular weight of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate?
The molecular weight of Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate is 577.18 g/mol.
Where can I buy Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate?
You can request a quote for Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.