5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid
TL;DR: 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid (CAS 308292-52-6) is a chemical compound with molecular formula C22H23NO4S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-butoxyanilino)-2-oxoethyl]naphthalene-1-sulfinic acid
Also Known As: 5-(2-(4-BUTOXYANILINO)-2-OXOETHYL)-1-NAPHTHALENESULFINIC ACID, 5-[(4-butoxyphenyl)carbamoylmethyl]naphthalene-1-sulfinic Acid, 5-[2-(4-butoxyanilino)-2-oxoethyl]naphthalene-1-sulfinic acid, 5-{[N-(4-butoxyphenyl)carbamoyl]methyl}naphthalenesulfinic acid, 5-(2-((4-butoxyphenyl)amino)-2-oxoethyl)naphthalene-1-sulfinic acid
| Molecular Formula | C22H23NO4S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 4.7805 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.13477 |
| Heavy Atoms | 28 |
| Complexity | 985.4982 |
Chemical Identifiers
| CAS Number | 308292-52-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)CC2=C3C=CC=C(C3=CC=C2)S(=O)O |
Product Overview
5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid (CAS 308292-52-6), with molecular formula C22H23NO4S and molecular weight 397.13 g/mol. IUPAC: 5-[2-(4-butoxyanilino)-2-oxoethyl]naphthalene-1-sulfinic acid.
Chemical Property Profile of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid
Property Insights of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid
The XLogP value of 4.7805 indicates that 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid. Following Lipinski's Rule of Five, 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid?
The CAS number of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid is 308292-52-6.
What is the molecular formula of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid?
The molecular formula of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid is C22H23NO4S.
What is the molecular weight of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid?
The molecular weight of 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid is 397.13 g/mol.
Where can I buy 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid?
You can request a quote for 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(4-Butoxyanilino)-2-oxoethyl)-1-naphthalenesulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.