1,2-乙二醇1,2-二苯磺酸酯
TL;DR: 1,2-乙二醇1,2-二苯磺酸酯 (CAS 135355-98-5) is a chemical compound with molecular formula C14H14O6S2 and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-乙二醇1,2-二苯磺酸酯
2-(benzenesulfonyloxy)ethyl benzenesulfonate
Also Known As: 1,dibenzenesulfonate, 1, dibenzenesulfonate, 1,2-Ethanediol, dibenzenesulfonate, Quetiapine Impurity 19, ethane-1,2-diyl dibenzenesulfonate
| Molecular Formula | C14H14O6S2 |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.0232 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 135355-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | LLHMWTOYUSTYGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-乙二醇1,2-二苯磺酸酯 (CAS 135355-98-5), with molecular formula C14H14O6S2 and molecular weight 342.02 g/mol. IUPAC: 2-(benzenesulfonyloxy)ethyl benzenesulfonate.
Chemical Property Profile of 1,2-乙二醇1,2-二苯磺酸酯
Property Insights of 1,2-乙二醇1,2-二苯磺酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-乙二醇1,2-二苯磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-乙二醇1,2-二苯磺酸酯. Following Lipinski's Rule of Five, 1,2-乙二醇1,2-二苯磺酸酯 has 0 hydrogen bond donor(s) and 6 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 1,2-乙二醇1,2-二苯磺酸酯?
The CAS number of 1,2-乙二醇1,2-二苯磺酸酯 is 135355-98-5.
What is the molecular formula of 1,2-乙二醇1,2-二苯磺酸酯?
The molecular formula of 1,2-乙二醇1,2-二苯磺酸酯 is C14H14O6S2.
What is the molecular weight of 1,2-乙二醇1,2-二苯磺酸酯?
The molecular weight of 1,2-乙二醇1,2-二苯磺酸酯 is 342.02 g/mol.
Where can I buy 1,2-乙二醇1,2-二苯磺酸酯?
You can request a quote for 1,2-乙二醇1,2-二苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-乙二醇1,2-二苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-乙二醇1,2-二苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.