RefChem:565043
TL;DR: RefChem:565043 (CAS 62592-55-6) is a chemical compound with molecular formula C17H12ClN5O4S and molecular weight 417.02985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxybenzenesulfonyl chloride
Also Known As: 3-[[ -4-yl]azo]-4-methoxybenzenesulfonicacidchloride, 3-[[-4-yl]azo]-4-methoxybenzenesulfonicacidchloride, Benzenesulfonyl chloride, 3-((3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-methoxy-, 3-[[(3-Cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol)-4-yl]azo]-4-methoxybenzenesulfonic acid chloride, Benzenesulfonyl chloride, 3-(2-(3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-4-methoxy-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H12ClN5O4S |
| Molecular Weight | 417.02985 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.02985 Da |
| Heavy Atoms | 28 |
| Complexity | 809.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)Cl)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C#N |
| InChIKey | NWSJILQZGMQIJS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:565043
Property Insights of RefChem:565043
The XLogP value of 3.1 indicates that RefChem:565043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565043. Following Lipinski's Rule of Five, RefChem:565043 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:565043?
The CAS number of RefChem:565043 is 62592-55-6.
What is the molecular formula of RefChem:565043?
The molecular formula of RefChem:565043 is C17H12ClN5O4S.
What is the molecular weight of RefChem:565043?
The molecular weight of RefChem:565043 is 417.02985 g/mol.
Where can I buy RefChem:565043?
You can request a quote for RefChem:565043 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:565043?
Yes, CoreyChem provides custom synthesis services for RefChem:565043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.