Oxiran-2-ylmethyl benzenesulfonate
TL;DR: Oxiran-2-ylmethyl benzenesulfonate (CAS 6950-42-1) is a chemical compound with molecular formula C9H10O4S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-ylmethyl benzenesulfonate
Also Known As: oxiran-2-ylmethyl benzenesulfonate, 2-Oxiranemethanol, 2-benzenesulfonate, 2-Oxiranemethanol,2-benzenesulfonate, (Oxiran-2-yl)methyl benzenesulfonate, RefChem:367376
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.02998 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 6950-42-1 |
|---|---|
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | PGIGXJYEXSOUNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiran-2-ylmethyl benzenesulfonate (CAS 6950-42-1), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: oxiran-2-ylmethyl benzenesulfonate.
Chemical Property Profile of Oxiran-2-ylmethyl benzenesulfonate
Property Insights of Oxiran-2-ylmethyl benzenesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxiran-2-ylmethyl benzenesulfonate. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiran-2-ylmethyl benzenesulfonate. Following Lipinski's Rule of Five, Oxiran-2-ylmethyl benzenesulfonate has 0 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 Oxiran-2-ylmethyl benzenesulfonate?
The CAS number of Oxiran-2-ylmethyl benzenesulfonate is 6950-42-1.
What is the molecular formula of Oxiran-2-ylmethyl benzenesulfonate?
The molecular formula of Oxiran-2-ylmethyl benzenesulfonate is C9H10O4S.
What is the molecular weight of Oxiran-2-ylmethyl benzenesulfonate?
The molecular weight of Oxiran-2-ylmethyl benzenesulfonate is 214.03 g/mol.
Where can I buy Oxiran-2-ylmethyl benzenesulfonate?
You can request a quote for Oxiran-2-ylmethyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiran-2-ylmethyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Oxiran-2-ylmethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.