RefChem:1097599
TL;DR: RefChem:1097599 (CAS 31791-46-5) is a chemical compound with molecular formula C25H28FNO6 and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine
Also Known As: 1-(4-(p-Fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-pyrrolidine maleate (1:1), Pyrrolidine, 1-(4-(p-fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-, maleate (1:1), (Z)-but-2-enedioic acid; 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine, RefChem:1097599
| Molecular Formula | C25H28FNO6 |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 4.1027 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.19006 |
| Heavy Atoms | 33 |
| Complexity | 941.62445 |
Chemical Identifiers
| CAS Number | 31791-46-5 |
|---|---|
| SMILES | COC1=CC=CC=C1OC2CCN(C2)CC/C=C/C3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1097599 (CAS 31791-46-5), with molecular formula C25H28FNO6 and molecular weight 457.19 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine.
Chemical Property Profile of RefChem:1097599
Property Insights of RefChem:1097599
The XLogP value of 4.1027 indicates that RefChem:1097599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097599. Following Lipinski's Rule of Five, RefChem:1097599 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097599?
The CAS number of RefChem:1097599 is 31791-46-5.
What is the molecular formula of RefChem:1097599?
The molecular formula of RefChem:1097599 is C25H28FNO6.
What is the molecular weight of RefChem:1097599?
The molecular weight of RefChem:1097599 is 457.19 g/mol.
Where can I buy RefChem:1097599?
You can request a quote for RefChem:1097599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.