Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester
TL;DR: Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester (CAS 28691-33-0) is a chemical compound with molecular formula C11H15BrO3S and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-3-yl 4-bromobenzenesulfonate
Also Known As: 2-Pentyl p-bromobenzenesulfonate, Benzenesulfonic acid, p-bromo-, 2-pentyl ester, pentan-3-yl 4-bromobenzenesulfonate, pentan-3-yl 4-bromobenzene-1-sulfonate, J1.747.167H
| Molecular Formula | C11H15BrO3S |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.99252 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 28691-33-0 |
|---|---|
| SMILES | CCC(CC)OS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | LCTUSXSKTRDINC-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester (CAS 28691-33-0), with molecular formula C11H15BrO3S and molecular weight 305.99 g/mol. IUPAC: pentan-3-yl 4-bromobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester
Property Insights of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester
The XLogP value of 3.8 indicates that Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester has 0 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 Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester?
The CAS number of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester is 28691-33-0.
What is the molecular formula of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester?
The molecular formula of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester is C11H15BrO3S.
What is the molecular weight of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester?
The molecular weight of Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester is 305.99 g/mol.
Where can I buy Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester?
You can request a quote for Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-bromo-, 1-ethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.