RefChem:1058485
TL;DR: RefChem:1058485 (CAS 3695-99-6) is a chemical compound with molecular formula C11H12Cl2N6O and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
Also Known As: F 2353, 4-((p-Chlorophenyl)azo)-3-methyl-5-oxo-2-pyrazoline-1-carboxamidine hydrochloride, 2-Pyrazoline-1-carboxamidine, 4-((p-chlorophenyl)azo)-3-methyl-5-oxo-, hydrochloride, 4-(4'-Chlor-phenyl-azo)-3-methyl-pyrazolon-(5)-yl-1-amidin hydrochlorid [German], 4-(4'-Chlor-phenyl-azo)-3-methyl-pyrazolon-(5)-yl-1-amidin hydrochlorid
| Molecular Formula | C11H12Cl2N6O |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 2.32567 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.04495 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 3695-99-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C(=N)N.Cl |
| InChIKey | OOMZKMDFGGHNJU-UHFFFAOYSA-N |
Product Overview
RefChem:1058485 (CAS 3695-99-6), with molecular formula C11H12Cl2N6O and molecular weight 314.04 g/mol. IUPAC: 4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride.
Chemical Property Profile of RefChem:1058485
Property Insights of RefChem:1058485
The XLogP value of 2.32567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058485. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058485. Following Lipinski's Rule of Five, RefChem:1058485 has 3 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:1058485?
The CAS number of RefChem:1058485 is 3695-99-6.
What is the molecular formula of RefChem:1058485?
The molecular formula of RefChem:1058485 is C11H12Cl2N6O.
What is the molecular weight of RefChem:1058485?
The molecular weight of RefChem:1058485 is 314.04 g/mol.
Where can I buy RefChem:1058485?
You can request a quote for RefChem:1058485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058485?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.