5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
TL;DR: 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680617-92-9) is a chemical compound with molecular formula C15H13BrClNO4S and molecular weight 416.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
Also Known As: Not Available, 5-(4-bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride, 5-(4-bromo-benzoylamino)-2-ethoxy-benzenesulfonyl chloride, 2956AJ, 5-(4-bromobenzoylamino)-2-ethoxybenzenesulfonylchloride
| Molecular Formula | C15H13BrClNO4S |
|---|---|
| Molecular Weight | 416.94 g/mol |
| LogP | 4.0276 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.94373 |
| Heavy Atoms | 23 |
| Complexity | 821.87054 |
Chemical Identifiers
| CAS Number | 680617-92-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)Cl |
Product Overview
5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680617-92-9), with molecular formula C15H13BrClNO4S and molecular weight 416.94 g/mol. IUPAC: 5-[(4-bromobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
Property Insights of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
The XLogP value of 4.0276 indicates that 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride has 1 hydrogen bond donor(s) and 4 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-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The CAS number of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride is 680617-92-9.
What is the molecular formula of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular formula of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride is C15H13BrClNO4S.
What is the molecular weight of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular weight of 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride is 416.94 g/mol.
Where can I buy 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
You can request a quote for 5-(4-Bromobenzamido)-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-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.