4-氯苯磺酸4-溴苯酯
TL;DR: 4-氯苯磺酸4-溴苯酯 (CAS 6950-55-6) is a chemical compound with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯磺酸4-溴苯酯
(4-bromophenyl) 4-chlorobenzenesulfonate
Also Known As: (4-bromophenyl) 4-chlorobenzenesulfonate, (4-bromophenyl)4-chlorobenzenesulfonate, Benzenesulfonic acid, p-chloro-, p-bromophenyl ester, 4-Bromophenyl 4-chlorobenzene-1-sulfonate, 4-CHLORO-BENZENESULFONIC ACID 4-BROMO-PHENYL ESTER
| Molecular Formula | C12H8BrClO3S |
|---|---|
| Molecular Weight | 345.91 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.90662 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 6950-55-6 |
|---|---|
| SMILES | C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Br |
| InChIKey | KPNQFZZXCDGNTH-UHFFFAOYSA-N |
Product Overview
4-氯苯磺酸4-溴苯酯 (CAS 6950-55-6), with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol. IUPAC: (4-bromophenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-氯苯磺酸4-溴苯酯
Property Insights of 4-氯苯磺酸4-溴苯酯
The XLogP value of 4.4 indicates that 4-氯苯磺酸4-溴苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-氯苯磺酸4-溴苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯磺酸4-溴苯酯 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 4-氯苯磺酸4-溴苯酯?
The CAS number of 4-氯苯磺酸4-溴苯酯 is 6950-55-6.
What is the molecular formula of 4-氯苯磺酸4-溴苯酯?
The molecular formula of 4-氯苯磺酸4-溴苯酯 is C12H8BrClO3S.
What is the molecular weight of 4-氯苯磺酸4-溴苯酯?
The molecular weight of 4-氯苯磺酸4-溴苯酯 is 345.91 g/mol.
Where can I buy 4-氯苯磺酸4-溴苯酯?
You can request a quote for 4-氯苯磺酸4-溴苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯磺酸4-溴苯酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯磺酸4-溴苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.