叔丁基-2,4,5-三氯苯基碳酸酯
TL;DR: 叔丁基-2,4,5-三氯苯基碳酸酯 (CAS 16965-08-5) is a chemical compound with molecular formula C11H11Cl3O3 and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基-2,4,5-三氯苯基碳酸酯
tert-butyl (2,4,5-trichlorophenyl) carbonate
Also Known As: tert-Butyl 2,4,5-trichlorophenyl carbonate, D-Aspartic acid, tert-butyl (2,4,5-trichlorophenyl) carbonate, Carbonic Acid tert-Butyl 2,4,5-Trichlorophenyl Ester, t-Butyl 2,4,5-trichlorophenyl carbonate
| Molecular Formula | C11H11Cl3O3 |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.9774 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 16965-08-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | LJFPGBIHDPZHIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基-2,4,5-三氯苯基碳酸酯 (CAS 16965-08-5), with molecular formula C11H11Cl3O3 and molecular weight 295.98 g/mol. IUPAC: tert-butyl (2,4,5-trichlorophenyl) carbonate.
Chemical Property Profile of 叔丁基-2,4,5-三氯苯基碳酸酯
Property Insights of 叔丁基-2,4,5-三氯苯基碳酸酯
The XLogP value of 4.9 indicates that 叔丁基-2,4,5-三氯苯基碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 叔丁基-2,4,5-三氯苯基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基-2,4,5-三氯苯基碳酸酯 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 叔丁基-2,4,5-三氯苯基碳酸酯?
The CAS number of 叔丁基-2,4,5-三氯苯基碳酸酯 is 16965-08-5.
What is the molecular formula of 叔丁基-2,4,5-三氯苯基碳酸酯?
The molecular formula of 叔丁基-2,4,5-三氯苯基碳酸酯 is C11H11Cl3O3.
What is the molecular weight of 叔丁基-2,4,5-三氯苯基碳酸酯?
The molecular weight of 叔丁基-2,4,5-三氯苯基碳酸酯 is 295.98 g/mol.
Where can I buy 叔丁基-2,4,5-三氯苯基碳酸酯?
You can request a quote for 叔丁基-2,4,5-三氯苯基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基-2,4,5-三氯苯基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基-2,4,5-三氯苯基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.