2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate
TL;DR: 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate (CAS 414901-96-5) is a chemical compound with molecular formula C14H11Br3O3S and molecular weight 495.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-tribromophenyl) 2,5-dimethylbenzenesulfonate
Also Known As: 2,4,6-tribromophenyl 2,5-dimethylbenzenesulfonate, (2,4,6-tribromophenyl) 2,5-dimethylbenzenesulfonate
| Molecular Formula | C14H11Br3O3S |
|---|---|
| Molecular Weight | 495.80 g/mol |
| LogP | 5.35864 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.7979 |
| Heavy Atoms | 21 |
| Complexity | 778.1018 |
Chemical Identifiers
| CAS Number | 414901-96-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br |
Product Overview
2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate (CAS 414901-96-5), with molecular formula C14H11Br3O3S and molecular weight 495.80 g/mol. IUPAC: (2,4,6-tribromophenyl) 2,5-dimethylbenzenesulfonate.
Chemical Property Profile of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate
Property Insights of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate
The XLogP value of 5.35864 indicates that 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate?
The CAS number of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate is 414901-96-5.
What is the molecular formula of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate?
The molecular formula of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate is C14H11Br3O3S.
What is the molecular weight of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate?
The molecular weight of 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate is 495.80 g/mol.
Where can I buy 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate?
You can request a quote for 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromophenyl 2,5-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.