邻氯苯基苯磺酸酯
TL;DR: 邻氯苯基苯磺酸酯 (CAS 13659-19-3) is a chemical compound with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻氯苯基苯磺酸酯
phenyl 2-chlorobenzenesulfonate
Also Known As: phenyl 2-chlorobenzenesulfonate, Benzenesulfonic acid, o-chloro-phenyl ester, Phenyl 2-chlorobenzene-1-sulfonate, Benzenesulfonic acid,o-chloro-phenyl ester
| Molecular Formula | C12H9ClO3S |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.9961 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 13659-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2Cl |
| InChIKey | MIRAITXRURDOHX-UHFFFAOYSA-N |
Product Overview
邻氯苯基苯磺酸酯 (CAS 13659-19-3), with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol. IUPAC: phenyl 2-chlorobenzenesulfonate.
Chemical Property Profile of 邻氯苯基苯磺酸酯
Property Insights of 邻氯苯基苯磺酸酯
The XLogP value of 3.6 indicates that 邻氯苯基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 邻氯苯基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻氯苯基苯磺酸酯 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 邻氯苯基苯磺酸酯?
The CAS number of 邻氯苯基苯磺酸酯 is 13659-19-3.
What is the molecular formula of 邻氯苯基苯磺酸酯?
The molecular formula of 邻氯苯基苯磺酸酯 is C12H9ClO3S.
What is the molecular weight of 邻氯苯基苯磺酸酯?
The molecular weight of 邻氯苯基苯磺酸酯 is 268.00 g/mol.
Where can I buy 邻氯苯基苯磺酸酯?
You can request a quote for 邻氯苯基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻氯苯基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 邻氯苯基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.