Neopentyl benzenesulfonate
TL;DR: Neopentyl benzenesulfonate (CAS 75620-67-6) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl benzenesulfonate
Also Known As: Neopentyl benzenesulfonate, 2,2-dimethylpropyl benzenesulfonate, Neopentyl Benzenesulfonate ,, Neopentylbenzenesulfonate, Neopentyl benzenesulfonate #
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 75620-67-6 |
|---|---|
| SMILES | CC(C)(C)COS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | UAIQNCSAQGGKRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl benzenesulfonate (CAS 75620-67-6), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: 2,2-dimethylpropyl benzenesulfonate.
Chemical Property Profile of Neopentyl benzenesulfonate
Property Insights of Neopentyl benzenesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Neopentyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl 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 Neopentyl benzenesulfonate?
The CAS number of Neopentyl benzenesulfonate is 75620-67-6.
What is the molecular formula of Neopentyl benzenesulfonate?
The molecular formula of Neopentyl benzenesulfonate is C11H16O3S.
What is the molecular weight of Neopentyl benzenesulfonate?
The molecular weight of Neopentyl benzenesulfonate is 228.08 g/mol.
Where can I buy Neopentyl benzenesulfonate?
You can request a quote for Neopentyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.