RefChem:371783
TL;DR: RefChem:371783 (CAS 58493-22-4) is a chemical compound with molecular formula C25H37N3O9 and molecular weight 523.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one;oxalic acid
Also Known As: Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-hexahydroazepinylcarbonylmethyl-, oxalate, 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one; oxalic acid, 1H-Azepine, hexahydro-1-[[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxopropyl]-1-piperazinyl]acetyl]-, ethanedioate (1:1) (salt), Oxalic acid--1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one (1/1), RefChem:371783
| Molecular Formula | C25H37N3O9 |
|---|---|
| Molecular Weight | 523.25 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.253 |
| Heavy Atoms | 37 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 58493-22-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3.C(=O)(C(=O)O)O |
| InChIKey | GVSHHIVHNWTOJF-UHFFFAOYSA-N |
Product Overview
RefChem:371783 (CAS 58493-22-4), with molecular formula C25H37N3O9 and molecular weight 523.25 g/mol. IUPAC: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one;oxalic acid.
Chemical Property Profile of RefChem:371783
Property Insights of RefChem:371783
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371783. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:371783 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371783 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:371783?
The CAS number of RefChem:371783 is 58493-22-4.
What is the molecular formula of RefChem:371783?
The molecular formula of RefChem:371783 is C25H37N3O9.
What is the molecular weight of RefChem:371783?
The molecular weight of RefChem:371783 is 523.25 g/mol.
Where can I buy RefChem:371783?
You can request a quote for RefChem:371783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371783?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.