RefChem:371784
TL;DR: RefChem:371784 (CAS 58493-20-2) is a chemical compound with molecular formula C23H33N3O9 and molecular weight 495.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one;oxalic acid
Also Known As: Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-pyrrolidinocarbonylmethyl-, oxalate, 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one; oxalic acid, Oxalic acid--3-(4-hydroxy-3,5-dimethoxyphenyl)-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propan-1-one (1/1), Piperazine, 1-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxopropyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-, ethanedioate (1:1) (salt), RefChem:371784
| Molecular Formula | C23H33N3O9 |
|---|---|
| Molecular Weight | 495.22 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.22168 |
| Heavy Atoms | 35 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 58493-20-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=O)(C(=O)O)O |
| InChIKey | GXWDFGZVLBLKEE-UHFFFAOYSA-N |
Product Overview
RefChem:371784 (CAS 58493-20-2), with molecular formula C23H33N3O9 and molecular weight 495.22 g/mol. IUPAC: 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one;oxalic acid.
Chemical Property Profile of RefChem:371784
Property Insights of RefChem:371784
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371784. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:371784 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371784 has 3 hydrogen bond donor(s) and 10 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:371784?
The CAS number of RefChem:371784 is 58493-20-2.
What is the molecular formula of RefChem:371784?
The molecular formula of RefChem:371784 is C23H33N3O9.
What is the molecular weight of RefChem:371784?
The molecular weight of RefChem:371784 is 495.22 g/mol.
Where can I buy RefChem:371784?
You can request a quote for RefChem:371784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371784?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.