4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate
TL;DR: 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate (CAS 111880-36-5) is a chemical compound with molecular formula C25H25Cl2N5O2S and molecular weight 529.1106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(benzo[b][1,10]phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl]methanesulfonamide;dihydrochloride
Also Known As: 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate, N-(4-(Benzo(b)(1,10)phenanthrolin-7-?ylamino)-3-(dimethylamino)phenyl)methanesulfonamide dihydrochloride, N-[4-(benzo[b][1,10]phenanthrolin-7-ylamino)-3-(dimethylamino)phenyl]methanesulfonamide dihydrochloride, N-{4-[(Benzo[b][1,10]phenanthrolin-7-yl)amino]-3-(dimethylamino)phenyl}methanesulfonamide--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C25H25Cl2N5O2S |
| Molecular Weight | 529.1106 g/mol |
| XLogP | 5.9609 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.1106 Da |
| Heavy Atoms | 35 |
| Complexity | 771.0 |
| SMILES | CN(C)C1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC4=C(C3=NC5=CC=CC=C52)N=CC=C4.Cl.Cl |
| InChIKey | JQHNNGVMQSBYTI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate
Property Insights of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate
The XLogP value of 5.9609 indicates that 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate. Following Lipinski's Rule of Five, 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate?
The CAS number of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate is 111880-36-5.
What is the molecular formula of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate?
The molecular formula of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate is C25H25Cl2N5O2S.
What is the molecular weight of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate?
The molecular weight of 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate is 529.1106 g/mol.
Where can I buy 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate?
You can request a quote for 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate?
Yes, CoreyChem provides custom synthesis services for 4-(7-Benzo(b)-1,10-phenanthrolinylamino)-3-dimethylaminomethanesulfonanilide dihydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.