碳酸叔丁基苯酯
TL;DR: 碳酸叔丁基苯酯 (CAS 6627-89-0) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸叔丁基苯酯
tert-butyl phenyl carbonate
Also Known As: tert-Butyl phenyl carbonate, t-Butyl phenyl carbonate, tert-Butylphenylcarbonate, phenyl t-butyl carbonate, ert-Butyl phenyl carbonate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 6627-89-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OC1=CC=CC=C1 |
| InChIKey | UXWVQHXKKOGTSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳酸叔丁基苯酯 (CAS 6627-89-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: tert-butyl phenyl carbonate.
Chemical Property Profile of 碳酸叔丁基苯酯
Property Insights of 碳酸叔丁基苯酯
The XLogP value of 3.1 indicates that 碳酸叔丁基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 碳酸叔丁基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸叔丁基苯酯 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 碳酸叔丁基苯酯?
The CAS number of 碳酸叔丁基苯酯 is 6627-89-0.
What is the molecular formula of 碳酸叔丁基苯酯?
The molecular formula of 碳酸叔丁基苯酯 is C11H14O3.
What is the molecular weight of 碳酸叔丁基苯酯?
The molecular weight of 碳酸叔丁基苯酯 is 194.09 g/mol.
Where can I buy 碳酸叔丁基苯酯?
You can request a quote for 碳酸叔丁基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸叔丁基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸叔丁基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.