RefChem:1056691
TL;DR: RefChem:1056691 (CAS 61897-09-4) is a chemical compound with molecular formula C31H38N2O12 and molecular weight 630.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
Also Known As: 1-Piperazinepropionic acid, 4-(2-((o-methoxyphenyl)phenylmethoxy)ethyl)-, dimaleate, 1-(2-((2-Methoxybenzhydryl)oxy)ethyl)-4-(2-carboxyethyl)piperazine dimaleate, 1-Piperazinepropanoic acid, 4-(2-((2-methoxyphenyl)phenylmethoxy)ethyl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid, RefChem:1056691
| Molecular Formula | C31H38N2O12 |
|---|---|
| Molecular Weight | 630.24 g/mol |
| LogP | 2.3171 |
| Topological Polar Surface Area | 211.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 630.2425 |
| Heavy Atoms | 45 |
| Complexity | 1222.487 |
Chemical Identifiers
| CAS Number | 61897-09-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C(OCCN2CCN(CC2)CCC(=O)O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056691 (CAS 61897-09-4), with molecular formula C31H38N2O12 and molecular weight 630.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid.
Chemical Property Profile of RefChem:1056691
Property Insights of RefChem:1056691
The XLogP value of 2.3171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056691. The TPSA of 211.44 Ų indicates high polarity, suggesting RefChem:1056691 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056691 has 5 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 RefChem:1056691?
The CAS number of RefChem:1056691 is 61897-09-4.
What is the molecular formula of RefChem:1056691?
The molecular formula of RefChem:1056691 is C31H38N2O12.
What is the molecular weight of RefChem:1056691?
The molecular weight of RefChem:1056691 is 630.24 g/mol.
Where can I buy RefChem:1056691?
You can request a quote for RefChem:1056691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.