RefChem:505786
TL;DR: RefChem:505786 (CAS 29330-49-2) is a chemical compound with molecular formula C16H11Cl2N5O3 and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)diazenyl]-4H-pyrazol-3-one
Also Known As: 1-3-methyl-4-[azo]-2-pyrazolin-5-one, 1-(2,5-Dichlorophenyl)-3-methyl-4-((o-nitrophenyl)azo)-2-pyrazolin-5-one, 1- -3-methyl-4-[ azo]-2-pyrazolin-5-one, 1-(2,5-Dichlorophenyl)-3-methyl-4-((o-nitrophenyl)azo-2-pyrazolin-5-one, 2-Pyrazolin-5-one, 1-(2,5-dichlorophenyl)-3-methyl-4-((o-nitrophenyl)azo)-
| Molecular Formula | C16H11Cl2N5O3 |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.0239 |
| Heavy Atoms | 26 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 29330-49-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=C(C=CC(=C3)Cl)Cl |
| InChIKey | GUOHODXWACDJHL-UHFFFAOYSA-N |
Product Overview
RefChem:505786 (CAS 29330-49-2), with molecular formula C16H11Cl2N5O3 and molecular weight 391.02 g/mol. IUPAC: 2-(2,5-dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)diazenyl]-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:505786
Property Insights of RefChem:505786
The XLogP value of 4.4 indicates that RefChem:505786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505786. Following Lipinski's Rule of Five, RefChem:505786 has 0 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:505786?
The CAS number of RefChem:505786 is 29330-49-2.
What is the molecular formula of RefChem:505786?
The molecular formula of RefChem:505786 is C16H11Cl2N5O3.
What is the molecular weight of RefChem:505786?
The molecular weight of RefChem:505786 is 391.02 g/mol.
Where can I buy RefChem:505786?
You can request a quote for RefChem:505786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.