C11H11ClN6O.ClH
TL;DR: C11H11ClN6O.ClH (CAS 3656-21-1) 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-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
Also Known As: F 2352, 4-((m-Chlorophenyl)azo)-3-methyl-5-oxo-2-pyrazoline-1-carboxamidine hydrochloride, 2-Pyrazoline-1-carboxamidine, 4-((m-chlorophenyl)azo)-3-methyl-5-oxo-, hydrochloride, 4-(3'-Chlor-phenyl-azo)-3-methyl-pyrazolon-(5)-yl-1-amidin hydrochlorid [German], 4-(3'-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 | 448.0 |
Chemical Identifiers
| CAS Number | 3656-21-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C(=N)N.Cl |
| InChIKey | CXILURSVTLAPAS-UHFFFAOYSA-N |
Product Overview
C11H11ClN6O.ClH (CAS 3656-21-1), with molecular formula C11H12Cl2N6O and molecular weight 314.04 g/mol. IUPAC: 4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride.
Chemical Property Profile of C11H11ClN6O.ClH
Property Insights of C11H11ClN6O.ClH
The XLogP value of 2.32567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C11H11ClN6O.ClH. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C11H11ClN6O.ClH. Following Lipinski's Rule of Five, C11H11ClN6O.ClH 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 C11H11ClN6O.ClH?
The CAS number of C11H11ClN6O.ClH is 3656-21-1.
What is the molecular formula of C11H11ClN6O.ClH?
The molecular formula of C11H11ClN6O.ClH is C11H12Cl2N6O.
What is the molecular weight of C11H11ClN6O.ClH?
The molecular weight of C11H11ClN6O.ClH is 314.04 g/mol.
Where can I buy C11H11ClN6O.ClH?
You can request a quote for C11H11ClN6O.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H11ClN6O.ClH?
Yes, KEHONG BIO provides custom synthesis services for C11H11ClN6O.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.