2,4-二氯苯酚甲磺酸盐
TL;DR: 2,4-二氯苯酚甲磺酸盐 (CAS 3687-13-6) 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.
2,4-二氯苯酚甲磺酸盐
(2,4-dichlorophenyl) methanesulfonate
Also Known As: 2,4-dichlorophenyl methanesulfonate, Shell SD 7,727, 2,4-Dichlorophenylmethanesulfonate, Shell SD 7727, Shell SD-7727
| Molecular Formula | C7H6Cl2O3S |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 2.8 |
| 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 | 3687-13-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | HWTBOKMYXXIASI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯苯酚甲磺酸盐 (CAS 3687-13-6), with molecular formula C7H6Cl2O3S and molecular weight 239.94 g/mol. IUPAC: (2,4-dichlorophenyl) methanesulfonate.
Chemical Property Profile of 2,4-二氯苯酚甲磺酸盐
Property Insights of 2,4-二氯苯酚甲磺酸盐
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二氯苯酚甲磺酸盐. With a topological polar surface area (TPSA) of 51.8 Ų, 2,4-二氯苯酚甲磺酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二氯苯酚甲磺酸盐 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 2,4-二氯苯酚甲磺酸盐?
The CAS number of 2,4-二氯苯酚甲磺酸盐 is 3687-13-6.
What is the molecular formula of 2,4-二氯苯酚甲磺酸盐?
The molecular formula of 2,4-二氯苯酚甲磺酸盐 is C7H6Cl2O3S.
What is the molecular weight of 2,4-二氯苯酚甲磺酸盐?
The molecular weight of 2,4-二氯苯酚甲磺酸盐 is 239.94 g/mol.
Where can I buy 2,4-二氯苯酚甲磺酸盐?
You can request a quote for 2,4-二氯苯酚甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯苯酚甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯苯酚甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.