Propan-2-yl 2,4,5-trichlorophenyl carbonate
TL;DR: Propan-2-yl 2,4,5-trichlorophenyl carbonate (CAS 58481-39-3) is a chemical compound with molecular formula C10H9Cl3O3 and molecular weight 281.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2,4,5-trichlorophenyl) carbonate
Also Known As: propan-2-yl 2,4,5-trichlorophenyl carbonate, propan-2-yl (2,4,5-trichlorophenyl) carbonate, CARBONIC ACID,4,5-TRICHLOROPHENYL ESTER, Carbonic acid, 1-methylethyl 2,4,5-trichlorophenyl ester
| Molecular Formula | C10H9Cl3O3 |
|---|---|
| Molecular Weight | 281.96 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.96173 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 58481-39-3 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | NVIRHLCJVYRKHH-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2,4,5-trichlorophenyl carbonate (CAS 58481-39-3), with molecular formula C10H9Cl3O3 and molecular weight 281.96 g/mol. IUPAC: propan-2-yl (2,4,5-trichlorophenyl) carbonate.
Chemical Property Profile of Propan-2-yl 2,4,5-trichlorophenyl carbonate
Property Insights of Propan-2-yl 2,4,5-trichlorophenyl carbonate
The XLogP value of 4.8 indicates that Propan-2-yl 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, Propan-2-yl 2,4,5-trichlorophenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl 2,4,5-trichlorophenyl carbonate?
The CAS number of Propan-2-yl 2,4,5-trichlorophenyl carbonate is 58481-39-3.
What is the molecular formula of Propan-2-yl 2,4,5-trichlorophenyl carbonate?
The molecular formula of Propan-2-yl 2,4,5-trichlorophenyl carbonate is C10H9Cl3O3.
What is the molecular weight of Propan-2-yl 2,4,5-trichlorophenyl carbonate?
The molecular weight of Propan-2-yl 2,4,5-trichlorophenyl carbonate is 281.96 g/mol.
Where can I buy Propan-2-yl 2,4,5-trichlorophenyl carbonate?
You can request a quote for Propan-2-yl 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 Propan-2-yl 2,4,5-trichlorophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2,4,5-trichlorophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.