苄基乙基碳酸酯
TL;DR: 苄基乙基碳酸酯 (CAS 25791-28-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基乙基碳酸酯
benzyl ethyl carbonate
Also Known As: Benzyl ethyl carbonate, benzylethylcarbonate, Benzylethyl carbonate, Ethylbenzyl carbonate, O-Ethyl-O-benzylcarbonat
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 25791-28-0 |
|---|---|
| SMILES | CCOC(=O)OCC1=CC=CC=C1 |
| InChIKey | FJLGSLSITVQVRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基乙基碳酸酯 (CAS 25791-28-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: benzyl ethyl carbonate.
Chemical Property Profile of 苄基乙基碳酸酯
Property Insights of 苄基乙基碳酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基乙基碳酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 苄基乙基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基乙基碳酸酯 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 苄基乙基碳酸酯?
The CAS number of 苄基乙基碳酸酯 is 25791-28-0.
What is the molecular formula of 苄基乙基碳酸酯?
The molecular formula of 苄基乙基碳酸酯 is C10H12O3.
What is the molecular weight of 苄基乙基碳酸酯?
The molecular weight of 苄基乙基碳酸酯 is 180.08 g/mol.
Where can I buy 苄基乙基碳酸酯?
You can request a quote for 苄基乙基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基乙基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基乙基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.