5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride
TL;DR: 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680618-04-6) is a chemical compound with molecular formula C17H16ClNO5S and molecular weight 381.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-acetylbenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
Also Known As: 5-(4-acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride, 5-(4-Acetyl-benzoylamino)-2-ethoxy-benzenesulfonyl chloride, 2953AJ, 2-Chloro-1-(2,5-dimethoxyphenyl)ethanol, 5- -2-ETHOXY-BENZENESULFONYLCHLORIDE
| Molecular Formula | C17H16ClNO5S |
|---|---|
| Molecular Weight | 381.04 g/mol |
| LogP | 3.4677 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.04376 |
| Heavy Atoms | 25 |
| Complexity | 907.1355 |
Chemical Identifiers
| CAS Number | 680618-04-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)C)S(=O)(=O)Cl |
Product Overview
5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680618-04-6), with molecular formula C17H16ClNO5S and molecular weight 381.04 g/mol. IUPAC: 5-[(4-acetylbenzoyl)amino]-2-ethoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride
Property Insights of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride
The XLogP value of 3.4677 indicates that 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride has 1 hydrogen bond donor(s) and 5 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-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The CAS number of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride is 680618-04-6.
What is the molecular formula of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular formula of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride is C17H16ClNO5S.
What is the molecular weight of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular weight of 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride is 381.04 g/mol.
Where can I buy 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
You can request a quote for 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Acetylbenzamido)-2-ethoxybenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.