RefChem:1058760
TL;DR: RefChem:1058760 (CAS 120944-28-7) is a chemical compound with molecular formula C26H29N3O6 and molecular weight 479.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Also Known As: 4-(4-Methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone (Z)-2-butenedioate, 2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one, RefChem:1058760
| Molecular Formula | C26H29N3O6 |
|---|---|
| Molecular Weight | 479.21 g/mol |
| LogP | 3.01982 |
| Topological Polar Surface Area | 127.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.20563 |
| Heavy Atoms | 35 |
| Complexity | 1173.83 |
Chemical Identifiers
| CAS Number | 120944-28-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(OC(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058760 (CAS 120944-28-7), with molecular formula C26H29N3O6 and molecular weight 479.21 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one.
Chemical Property Profile of RefChem:1058760
Property Insights of RefChem:1058760
The XLogP value of 3.01982 indicates that RefChem:1058760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058760. Following Lipinski's Rule of Five, RefChem:1058760 has 3 hydrogen bond donor(s) and 6 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:1058760?
The CAS number of RefChem:1058760 is 120944-28-7.
What is the molecular formula of RefChem:1058760?
The molecular formula of RefChem:1058760 is C26H29N3O6.
What is the molecular weight of RefChem:1058760?
The molecular weight of RefChem:1058760 is 479.21 g/mol.
Where can I buy RefChem:1058760?
You can request a quote for RefChem:1058760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058760?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.