4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate
TL;DR: 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate (CAS 111880-37-6) is a chemical compound with molecular formula C24H22Cl2N4O3S and molecular weight 516.079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-methoxyphenyl]methanesulfonamide;dihydrochloride
Also Known As: 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate, N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-methoxyphenyl]methanesulfonamide dihydrochloride, N-{4-[(Benzo[b][1,7]phenanthrolin-7-yl)amino]-3-methoxyphenyl}methanesulfonamide--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C24H22Cl2N4O3S |
| Molecular Weight | 516.079 g/mol |
| XLogP | 5.9035 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.079 Da |
| Heavy Atoms | 34 |
| Complexity | 744.0 |
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC4=C(C3=NC5=CC=CC=C52)C=CC=N4.Cl.Cl |
| InChIKey | JZRIXZCOWVDUIK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate
Property Insights of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate
The XLogP value of 5.9035 indicates that 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate. Following Lipinski's Rule of Five, 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate 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)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate?
The CAS number of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate is 111880-37-6.
What is the molecular formula of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate?
The molecular formula of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate is C24H22Cl2N4O3S.
What is the molecular weight of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate?
The molecular weight of 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate is 516.079 g/mol.
Where can I buy 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate?
You can request a quote for 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate?
Yes, CoreyChem provides custom synthesis services for 4-(7-Benzo(b)-1,7-phenanthrolinylamino)-3-methoxymethanesulfonanilide dihydrochloride hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.