Ethyl (2,4,5-trichlorophenyl) carbonate
TL;DR: Ethyl (2,4,5-trichlorophenyl) carbonate (CAS 22876-29-5) is a chemical compound with molecular formula C9H7Cl3O3 and molecular weight 267.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2,4,5-trichlorophenyl) carbonate
Also Known As: ethyl (2,4,5-trichlorophenyl) carbonate, ethyl 2,4,5-trichlorophenyl ester, Ethyl 2,4,5-trichlorophenyl carbonate
| Molecular Formula | C9H7Cl3O3 |
|---|---|
| Molecular Weight | 267.95 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.94608 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 22876-29-5 |
|---|---|
| SMILES | CCOC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | GPVCBFIVLNSTRS-UHFFFAOYSA-N |
Product Overview
Ethyl (2,4,5-trichlorophenyl) carbonate (CAS 22876-29-5), with molecular formula C9H7Cl3O3 and molecular weight 267.95 g/mol. IUPAC: ethyl (2,4,5-trichlorophenyl) carbonate.
Chemical Property Profile of Ethyl (2,4,5-trichlorophenyl) carbonate
Property Insights of Ethyl (2,4,5-trichlorophenyl) carbonate
The XLogP value of 4.3 indicates that Ethyl (2,4,5-trichlorophenyl) carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl (2,4,5-trichlorophenyl) carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2,4,5-trichlorophenyl) carbonate 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 Ethyl (2,4,5-trichlorophenyl) carbonate?
The CAS number of Ethyl (2,4,5-trichlorophenyl) carbonate is 22876-29-5.
What is the molecular formula of Ethyl (2,4,5-trichlorophenyl) carbonate?
The molecular formula of Ethyl (2,4,5-trichlorophenyl) carbonate is C9H7Cl3O3.
What is the molecular weight of Ethyl (2,4,5-trichlorophenyl) carbonate?
The molecular weight of Ethyl (2,4,5-trichlorophenyl) carbonate is 267.95 g/mol.
Where can I buy Ethyl (2,4,5-trichlorophenyl) carbonate?
You can request a quote for Ethyl (2,4,5-trichlorophenyl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2,4,5-trichlorophenyl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2,4,5-trichlorophenyl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.