RefChem:1056695
TL;DR: RefChem:1056695 (CAS 61897-05-0) is a chemical compound with molecular formula C30H35FN2O11 and molecular weight 618.22 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-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
Also Known As: 4-(2-(p-Fluorophenyl-phenylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate, 1-Piperazinepropionic acid, 4-(2-(p-fluorophenyl-phenylmethoxy)ethyl)-, dimaleate, 1-(2-((4-Fluorobenzhydryl)oxy)ethyl)-4-(2-carboxyethyl)piperazine dimaleate, 1-Piperazinepropanoic acid, 4-(2-((4-fluorophenyl)phenylmethoxy)ethyl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 3-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
| Molecular Formula | C30H35FN2O11 |
|---|---|
| Molecular Weight | 618.22 g/mol |
| LogP | 2.4476 |
| Topological Polar Surface Area | 202.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.2225 |
| Heavy Atoms | 44 |
| Complexity | 1193.5138 |
Chemical Identifiers
| CAS Number | 61897-05-0 |
|---|---|
| SMILES | C1N(CCN(C1)CCOC(C2=CC=C(C=C2)F)C3=CC=CC=C3)CCC(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056695 (CAS 61897-05-0), with molecular formula C30H35FN2O11 and molecular weight 618.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid.
Chemical Property Profile of RefChem:1056695
Property Insights of RefChem:1056695
The XLogP value of 2.4476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056695. The TPSA of 202.21 Ų indicates high polarity, suggesting RefChem:1056695 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056695 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:1056695?
The CAS number of RefChem:1056695 is 61897-05-0.
What is the molecular formula of RefChem:1056695?
The molecular formula of RefChem:1056695 is C30H35FN2O11.
What is the molecular weight of RefChem:1056695?
The molecular weight of RefChem:1056695 is 618.22 g/mol.
Where can I buy RefChem:1056695?
You can request a quote for RefChem:1056695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056695?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.