RefChem:1057103
TL;DR: RefChem:1057103 (CAS 21269-15-8) is a chemical compound with molecular formula C28H35NO11 and molecular weight 561.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl 3,4,5-trimethoxybenzoate
Also Known As: 3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol 3,4,5-trimethoxybenzoate (ester) maleate (1:1), 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, 3,4,5-trimethoxybenzoate (ester), maleate (1:1), (E)-but-2-enedioic acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl 3,4,5-trimethoxybenzoate, RefChem:1057103
| Molecular Formula | C28H35NO11 |
|---|---|
| Molecular Weight | 561.22 g/mol |
| LogP | 3.133 |
| Topological Polar Surface Area | 150.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 561.221 |
| Heavy Atoms | 40 |
| Complexity | 1123.69 |
Chemical Identifiers
| CAS Number | 21269-15-8 |
|---|---|
| SMILES | COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057103 (CAS 21269-15-8), with molecular formula C28H35NO11 and molecular weight 561.22 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:1057103
Property Insights of RefChem:1057103
The XLogP value of 3.133 indicates that RefChem:1057103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.29 Ų indicates high polarity, suggesting RefChem:1057103 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057103 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057103?
The CAS number of RefChem:1057103 is 21269-15-8.
What is the molecular formula of RefChem:1057103?
The molecular formula of RefChem:1057103 is C28H35NO11.
What is the molecular weight of RefChem:1057103?
The molecular weight of RefChem:1057103 is 561.22 g/mol.
Where can I buy RefChem:1057103?
You can request a quote for RefChem:1057103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057103?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.