五氯苯基苯磺酸酯
TL;DR: 五氯苯基苯磺酸酯 (CAS 69121-78-4) is a chemical compound with molecular formula C12H5Cl5O3S and molecular weight 403.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯苯基苯磺酸酯
(2,3,4,5,6-pentachlorophenyl) benzenesulfonate
Also Known As: pentachlorophenyl benzenesulfonate, 3,7-Dioxa-2,8-disilanonane, FEMA 2302, (2,3,4,5,6-pentachlorophenyl) benzenesulfonate, 13-Eicosenoic acid, methyl ester, (Z)-
| Molecular Formula | C12H5Cl5O3S |
|---|---|
| Molecular Weight | 403.84 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.8402 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 69121-78-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | LJCUQLCGWDFTPO-UHFFFAOYSA-N |
Product Overview
五氯苯基苯磺酸酯 (CAS 69121-78-4), with molecular formula C12H5Cl5O3S and molecular weight 403.84 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) benzenesulfonate.
Chemical Property Profile of 五氯苯基苯磺酸酯
Property Insights of 五氯苯基苯磺酸酯
The XLogP value of 6.2 indicates that 五氯苯基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 五氯苯基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氯苯基苯磺酸酯 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 五氯苯基苯磺酸酯?
The CAS number of 五氯苯基苯磺酸酯 is 69121-78-4.
What is the molecular formula of 五氯苯基苯磺酸酯?
The molecular formula of 五氯苯基苯磺酸酯 is C12H5Cl5O3S.
What is the molecular weight of 五氯苯基苯磺酸酯?
The molecular weight of 五氯苯基苯磺酸酯 is 403.84 g/mol.
Where can I buy 五氯苯基苯磺酸酯?
You can request a quote for 五氯苯基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯苯基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 五氯苯基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.