(2,4,5-Trichloro-phenylsulfanyl)-acetic acid
TL;DR: (2,4,5-Trichloro-phenylsulfanyl)-acetic acid (CAS 21248-54-4) is a chemical compound with molecular formula C8H5Cl3O2S and molecular weight 269.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5-trichlorophenyl)sulfanylacetic acid
Also Known As: (2,4,5-Trichloro-phenylsulfanyl)-acetic acid, 2-(2,4,5-trichlorophenyl)sulfanylacetic acid, 2-[(2,4,5-Trichlorophenyl)thio]acetic Acid, 2,4,5-Trichlor-phenylmercapto-essigsaeure, [(2,4,5-TRICHLOROPHENYL)SULFANYL]ACETIC ACID
| Molecular Formula | C8H5Cl3O2S |
|---|---|
| Molecular Weight | 269.91 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.9076 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 21248-54-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)SCC(=O)O |
| InChIKey | MQXOLRONMGGENN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4,5-Trichloro-phenylsulfanyl)-acetic acid (CAS 21248-54-4), with molecular formula C8H5Cl3O2S and molecular weight 269.91 g/mol. IUPAC: 2-(2,4,5-trichlorophenyl)sulfanylacetic acid.
Chemical Property Profile of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid
Property Insights of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid
The XLogP value of 3.9 indicates that (2,4,5-Trichloro-phenylsulfanyl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4,5-Trichloro-phenylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (2,4,5-Trichloro-phenylsulfanyl)-acetic acid has 1 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 (2,4,5-Trichloro-phenylsulfanyl)-acetic acid?
The CAS number of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid is 21248-54-4.
What is the molecular formula of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid?
The molecular formula of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid is C8H5Cl3O2S.
What is the molecular weight of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid?
The molecular weight of (2,4,5-Trichloro-phenylsulfanyl)-acetic acid is 269.91 g/mol.
Where can I buy (2,4,5-Trichloro-phenylsulfanyl)-acetic acid?
You can request a quote for (2,4,5-Trichloro-phenylsulfanyl)-acetic acid 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-Trichloro-phenylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,4,5-Trichloro-phenylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.