4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate
TL;DR: 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate (CAS 111880-39-8) is a chemical compound with molecular formula C24H21ClN4O3S and molecular weight 480.1023 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;hydrochloride
Also Known As: 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate, N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-methoxyphenyl]methanesulfonamide hydrochloride, N-{4-[(Benzo[b][1,7]phenanthrolin-7-yl)amino]-3-methoxyphenyl}methanesulfonamide--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C24H21ClN4O3S |
| Molecular Weight | 480.1023 g/mol |
| XLogP | 5.4817 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.1023 Da |
| Heavy Atoms | 33 |
| 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 |
| InChIKey | BEDBWCXHOAPHPW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate
Property Insights of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate
The XLogP value of 5.4817 indicates that 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate 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)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate. Following Lipinski's Rule of Five, 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate has 3 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)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate?
The CAS number of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate is 111880-39-8.
What is the molecular formula of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate?
The molecular formula of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate is C24H21ClN4O3S.
What is the molecular weight of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate?
The molecular weight of 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate is 480.1023 g/mol.
Where can I buy 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate?
You can request a quote for 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate?
Yes, CoreyChem provides custom synthesis services for 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.