Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle
TL;DR: Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle (CAS 42729-62-4) is a chemical compound with molecular formula C25H35Cl2NO9 and molecular weight 563.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(2,5-dichlorophenyl)-3-methylpentanoate
Also Known As: Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle, Benzeneacetic acid, 2,5-dichloro-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(propan-2-yl)pyrrolidin-3-yl 2-(2,5-dichlorophenyl)-3-methylpentanoate (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(2,5-dichlorophenyl)-3-methylpentanoate, RefChem:1063442
| Molecular Formula | C25H35Cl2NO9 |
|---|---|
| Molecular Weight | 563.17 g/mol |
| LogP | 3.9005 |
| Topological Polar Surface Area | 161.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 563.1689 |
| Heavy Atoms | 37 |
| Complexity | 953.4808 |
Chemical Identifiers
| CAS Number | 42729-62-4 |
|---|---|
| SMILES | CCC(C)C(C1=C(C=CC(=C1)Cl)Cl)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle (CAS 42729-62-4), with molecular formula C25H35Cl2NO9 and molecular weight 563.17 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(2,5-dichlorophenyl)-3-methylpentanoate.
Chemical Property Profile of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle
Property Insights of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle
The XLogP value of 3.9005 indicates that Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.67 Ų indicates high polarity, suggesting Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle has 4 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 Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle?
The CAS number of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle is 42729-62-4.
What is the molecular formula of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle?
The molecular formula of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle is C25H35Cl2NO9.
What is the molecular weight of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle?
The molecular weight of Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle is 563.17 g/mol.
Where can I buy Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle?
You can request a quote for Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle?
Yes, KEHONG BIO provides custom synthesis services for Citrate du(methyl-3 (dichloro-2',5')phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.