RefChem:1056416
TL;DR: RefChem:1056416 (CAS 61897-03-8) is a chemical compound with molecular formula C29H33FN2O11 and molecular weight 604.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]acetic acid
Also Known As: C21H25FN2O3.2C4H4O4.3/2H2O, 4-(2-(p-Fluorophenyl-phenylmethoxy)ethyl)-1-piperazineacetic acid dimaleate sesquihydrate, 1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate, C21-H25-F-N2-O3.2C4-H4-O4.3/2H2-O, (E)-but-2-enedioic acid; 2-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]acetic acid
| Molecular Formula | C29H33FN2O11 |
|---|---|
| Molecular Weight | 604.21 g/mol |
| LogP | 2.0575 |
| Topological Polar Surface Area | 202.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 604.20685 |
| Heavy Atoms | 43 |
| Complexity | 1176.8386 |
Chemical Identifiers
| CAS Number | 61897-03-8 |
|---|---|
| SMILES | C1N(CCN(C1)CC(=O)O)CCOC(C2=CC=C(C=C2)F)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056416 (CAS 61897-03-8), with molecular formula C29H33FN2O11 and molecular weight 604.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]acetic acid.
Chemical Property Profile of RefChem:1056416
Property Insights of RefChem:1056416
The XLogP value of 2.0575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056416. The TPSA of 202.21 Ų indicates high polarity, suggesting RefChem:1056416 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056416 has 5 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:1056416?
The CAS number of RefChem:1056416 is 61897-03-8.
What is the molecular formula of RefChem:1056416?
The molecular formula of RefChem:1056416 is C29H33FN2O11.
What is the molecular weight of RefChem:1056416?
The molecular weight of RefChem:1056416 is 604.21 g/mol.
Where can I buy RefChem:1056416?
You can request a quote for RefChem:1056416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056416?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.