RefChem:1063443
TL;DR: RefChem:1063443 (CAS 42729-64-6) is a chemical compound with molecular formula C27H40ClNO10 and molecular weight 573.23 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-(5-chloro-2-ethoxyphenyl)-3-methylpentanoate
Also Known As: Citrate du(methyl-3 (chloro-5 ethoxy-2) phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle, Benzeneacetic acid, 5-chloro-2-ethoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(propan-2-yl)pyrrolidin-3-yl 2-(5-chloro-2-ethoxyphenyl)-3-methylpentanoate (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-chloro-2-ethoxyphenyl)-3-methylpentanoate, RefChem:1063443
| Molecular Formula | C27H40ClNO10 |
|---|---|
| Molecular Weight | 573.23 g/mol |
| LogP | 3.6458 |
| Topological Polar Surface Area | 170.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 573.2341 |
| Heavy Atoms | 39 |
| Complexity | 982.7799 |
Chemical Identifiers
| CAS Number | 42729-64-6 |
|---|---|
| SMILES | CCC(C)C(C1=C(C=CC(=C1)Cl)OCC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
RefChem:1063443 (CAS 42729-64-6), with molecular formula C27H40ClNO10 and molecular weight 573.23 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-chloro-2-ethoxyphenyl)-3-methylpentanoate.
Chemical Property Profile of RefChem:1063443
Property Insights of RefChem:1063443
The XLogP value of 3.6458 indicates that RefChem:1063443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.9 Ų indicates high polarity, suggesting RefChem:1063443 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063443 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063443?
The CAS number of RefChem:1063443 is 42729-64-6.
What is the molecular formula of RefChem:1063443?
The molecular formula of RefChem:1063443 is C27H40ClNO10.
What is the molecular weight of RefChem:1063443?
The molecular weight of RefChem:1063443 is 573.23 g/mol.
Where can I buy RefChem:1063443?
You can request a quote for RefChem:1063443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063443?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.