Butyl benzenesulfonate
TL;DR: Butyl benzenesulfonate (CAS 80-44-4) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl benzenesulfonate
Also Known As: BUTYL BENZENESULFONATE, ButylBenzenesulfonate, Benzenesulfonic acid n-butyl ester, Benzenesulfonic Acid Butyl Ester, butoxysulfonylbenzene
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 80-44-4 |
|---|---|
| SMILES | CCCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | NIKBCKTWWPVAIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl benzenesulfonate (CAS 80-44-4), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: butyl benzenesulfonate.
Chemical Property Profile of Butyl benzenesulfonate
Property Insights of Butyl benzenesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Butyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl benzenesulfonate 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 Butyl benzenesulfonate?
The CAS number of Butyl benzenesulfonate is 80-44-4.
What is the molecular formula of Butyl benzenesulfonate?
The molecular formula of Butyl benzenesulfonate is C10H14O3S.
What is the molecular weight of Butyl benzenesulfonate?
The molecular weight of Butyl benzenesulfonate is 214.07 g/mol.
Where can I buy Butyl benzenesulfonate?
You can request a quote for Butyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.