1-Naphthalenesulfonyl chloride,5-cyano
TL;DR: 1-Naphthalenesulfonyl chloride,5-cyano (CAS 115596-45-7) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-(2,2-dimethyloxan-4-yl)-2-phenyl-1H-pyrazol-5-one
Also Known As: 1-Naphthalenesulfonyl chloride,5-cyano, 3-amino-4-(2,2-dimethyloxan-4-yl)-2-phenyl-1H-pyrazol-5-one, 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-, 5-Amino-4-(2,2-dimethyloxan-4-yl)-1-phenyl-1H-pyrazol-3-ol, 3H-Pyrazol-3-one,5-amino-1,2-dihydro-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
Technical Specifications
| Molecular Formula | C16H21N3O2 |
| Molecular Weight | 287.1634 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.1634 Da |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
| SMILES | CC1(CC(CCO1)C2=C(N(NC2=O)C3=CC=CC=C3)N)C |
| InChIKey | AFDYWVIXIRYEPN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Naphthalenesulfonyl chloride,5-cyano
Property Insights of 1-Naphthalenesulfonyl chloride,5-cyano
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenesulfonyl chloride,5-cyano. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenesulfonyl chloride,5-cyano. Following Lipinski's Rule of Five, 1-Naphthalenesulfonyl chloride,5-cyano has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Naphthalenesulfonyl chloride,5-cyano?
The CAS number of 1-Naphthalenesulfonyl chloride,5-cyano is 115596-45-7.
What is the molecular formula of 1-Naphthalenesulfonyl chloride,5-cyano?
The molecular formula of 1-Naphthalenesulfonyl chloride,5-cyano is C16H21N3O2.
What is the molecular weight of 1-Naphthalenesulfonyl chloride,5-cyano?
The molecular weight of 1-Naphthalenesulfonyl chloride,5-cyano is 287.1634 g/mol.
Where can I buy 1-Naphthalenesulfonyl chloride,5-cyano?
You can request a quote for 1-Naphthalenesulfonyl chloride,5-cyano directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Naphthalenesulfonyl chloride,5-cyano?
Yes, CoreyChem provides custom synthesis services for 1-Naphthalenesulfonyl chloride,5-cyano and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.