甲基2,5-二氯苯磺酸酯
TL;DR: 甲基2,5-二氯苯磺酸酯 (CAS 82727-36-4) is a chemical compound with molecular formula C7H6Cl2O3S and molecular weight 239.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基2,5-二氯苯磺酸酯
methyl 2,5-dichlorobenzenesulfonate
Also Known As: Methyldichlorobenzene sulfonate, methyl 2,5-dichlorobenzenesulfonate, LPOZFGQJZQYOBJ-UHFFFAOYSA-, methyl 2,5-dichlorobenzene-1-sulfonate, Methyl 2,5-dichlorobenzene sulfonate
| Molecular Formula | C7H6Cl2O3S |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.94147 |
| Heavy Atoms | 13 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 82727-36-4 |
|---|---|
| SMILES | COS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl |
| InChIKey | LPOZFGQJZQYOBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基2,5-二氯苯磺酸酯 (CAS 82727-36-4), with molecular formula C7H6Cl2O3S and molecular weight 239.94 g/mol. IUPAC: methyl 2,5-dichlorobenzenesulfonate.
Chemical Property Profile of 甲基2,5-二氯苯磺酸酯
Property Insights of 甲基2,5-二氯苯磺酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基2,5-二氯苯磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 甲基2,5-二氯苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基2,5-二氯苯磺酸酯 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 甲基2,5-二氯苯磺酸酯?
The CAS number of 甲基2,5-二氯苯磺酸酯 is 82727-36-4.
What is the molecular formula of 甲基2,5-二氯苯磺酸酯?
The molecular formula of 甲基2,5-二氯苯磺酸酯 is C7H6Cl2O3S.
What is the molecular weight of 甲基2,5-二氯苯磺酸酯?
The molecular weight of 甲基2,5-二氯苯磺酸酯 is 239.94 g/mol.
Where can I buy 甲基2,5-二氯苯磺酸酯?
You can request a quote for 甲基2,5-二氯苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基2,5-二氯苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基2,5-二氯苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.