RefChem:239955
TL;DR: RefChem:239955 (CAS 116834-30-1) is a chemical compound with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]propanoic acid;morpholine
Also Known As: 1H-Pyrazole-4-acetic acid, 1-(4-methoxyphenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-, compd. with morpholine (1:1), 2-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]propanoic acid;morpholine, 2-[1-(4-methoxyphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]propanoic Acid; Morpholine, 2-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]propanoic acid; morpholine, 2-[1-(4-Methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]propanoic acid--morpholine (1/1)
| Molecular Formula | C21H26N4O4 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 2.4659 |
| Topological Polar Surface Area | 90.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1954 |
| Heavy Atoms | 29 |
| Complexity | 887.91156 |
Chemical Identifiers
| CAS Number | 116834-30-1 |
|---|---|
| SMILES | CC(C1=C(N(N=C1)C2=CC=C(C=C2)OC)N3C=CC=C3)C(=O)O.C1COCCN1 |
Product Overview
RefChem:239955 (CAS 116834-30-1), with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazol-4-yl]propanoic acid;morpholine.
Chemical Property Profile of RefChem:239955
Property Insights of RefChem:239955
The XLogP value of 2.4659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239955. The TPSA of 90.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239955. Following Lipinski's Rule of Five, RefChem:239955 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:239955?
The CAS number of RefChem:239955 is 116834-30-1.
What is the molecular formula of RefChem:239955?
The molecular formula of RefChem:239955 is C21H26N4O4.
What is the molecular weight of RefChem:239955?
The molecular weight of RefChem:239955 is 398.20 g/mol.
Where can I buy RefChem:239955?
You can request a quote for RefChem:239955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239955?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.