RefChem:316939
TL;DR: RefChem:316939 (CAS 23026-55-3) is a chemical compound with molecular formula C25H31NO9 and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone
Also Known As: Acetophenone, 3'-methoxy-4'-(3-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)propoxy)-, oxalate (1:1), 3'-Methoxy-4'-(3-(3-(o-methoxyphenoxy)-1-pyrrolidinyl)propoxy)-acetophenone oxalate (1:1), 2-hydroxy-2-oxoacetate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone, RefChem:316939
| Molecular Formula | C25H31NO9 |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.1999 |
| Heavy Atoms | 35 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 23026-55-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | RJOYUHVESYQTLQ-UHFFFAOYSA-N |
Product Overview
RefChem:316939 (CAS 23026-55-3), with molecular formula C25H31NO9 and molecular weight 489.20 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone.
Chemical Property Profile of RefChem:316939
Property Insights of RefChem:316939
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316939. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316939. Following Lipinski's Rule of Five, RefChem:316939 has 2 hydrogen bond donor(s) and 9 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:316939?
The CAS number of RefChem:316939 is 23026-55-3.
What is the molecular formula of RefChem:316939?
The molecular formula of RefChem:316939 is C25H31NO9.
What is the molecular weight of RefChem:316939?
The molecular weight of RefChem:316939 is 489.20 g/mol.
Where can I buy RefChem:316939?
You can request a quote for RefChem:316939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.