(2,4,5-三氯苯基) 4-甲基苯磺酸酯
TL;DR: (2,4,5-三氯苯基) 4-甲基苯磺酸酯 (CAS 7466-02-6) is a chemical compound with molecular formula C13H9Cl3O3S and molecular weight 349.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-三氯苯基) 4-甲基苯磺酸酯
(2,4,5-trichlorophenyl) 4-methylbenzenesulfonate
Also Known As: 2,4,5-trichlorophenyl 4-methylbenzene-1-sulfonate, (2,4,5-trichlorophenyl) 4-methylbenzenesulfonate
| Molecular Formula | C13H9Cl3O3S |
|---|---|
| Molecular Weight | 349.93 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.9338 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 7466-02-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2Cl)Cl)Cl |
| InChIKey | NGSFNIFEQKYBGT-UHFFFAOYSA-N |
Product Overview
(2,4,5-三氯苯基) 4-甲基苯磺酸酯 (CAS 7466-02-6), with molecular formula C13H9Cl3O3S and molecular weight 349.93 g/mol. IUPAC: (2,4,5-trichlorophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (2,4,5-三氯苯基) 4-甲基苯磺酸酯
Property Insights of (2,4,5-三氯苯基) 4-甲基苯磺酸酯
The XLogP value of 5.3 indicates that (2,4,5-三氯苯基) 4-甲基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2,4,5-三氯苯基) 4-甲基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,5-三氯苯基) 4-甲基苯磺酸酯 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 (2,4,5-三氯苯基) 4-甲基苯磺酸酯?
The CAS number of (2,4,5-三氯苯基) 4-甲基苯磺酸酯 is 7466-02-6.
What is the molecular formula of (2,4,5-三氯苯基) 4-甲基苯磺酸酯?
The molecular formula of (2,4,5-三氯苯基) 4-甲基苯磺酸酯 is C13H9Cl3O3S.
What is the molecular weight of (2,4,5-三氯苯基) 4-甲基苯磺酸酯?
The molecular weight of (2,4,5-三氯苯基) 4-甲基苯磺酸酯 is 349.93 g/mol.
Where can I buy (2,4,5-三氯苯基) 4-甲基苯磺酸酯?
You can request a quote for (2,4,5-三氯苯基) 4-甲基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,5-三氯苯基) 4-甲基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for (2,4,5-三氯苯基) 4-甲基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.