4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol
TL;DR: 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol (CAS 428836-84-4) is a chemical compound with molecular formula C13H19BrN2O3S and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenol
Also Known As: BAS 03152503, 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol, 4-bromo-2-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenol, 4-bromo-2-{[4-(ethylsulfonyl)piperazin-1-yl]methyl}phenol, 4-Bromo-2-([4-(ethylsulfonyl)-1-piperazinyl]methyl)phenol #
| Molecular Formula | C13H19BrN2O3S |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.02997 |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 428836-84-4 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)O |
| InChIKey | SIXBRIXMOMXMEH-UHFFFAOYSA-N |
Product Overview
4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol (CAS 428836-84-4), with molecular formula C13H19BrN2O3S and molecular weight 362.03 g/mol. IUPAC: 4-bromo-2-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenol.
Chemical Property Profile of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol
Property Insights of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol. Following Lipinski's Rule of Five, 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol 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 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol?
The CAS number of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol is 428836-84-4.
What is the molecular formula of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol?
The molecular formula of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol is C13H19BrN2O3S.
What is the molecular weight of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol?
The molecular weight of 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol is 362.03 g/mol.
Where can I buy 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol?
You can request a quote for 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.