草酸二苄酯
TL;DR: 草酸二苄酯 (CAS 7579-36-4) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酸二苄酯
dibenzyl oxalate
Also Known As: Dibenzyl oxalate, benzyl oxalate, dibenzyloxalat, Dibenzyl Oxylate, Dibenzyloxalate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 7579-36-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(=O)OCC2=CC=CC=C2 |
| InChIKey | ZYZXGWGQYNTGAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草酸二苄酯 (CAS 7579-36-4), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: dibenzyl oxalate.
Chemical Property Profile of 草酸二苄酯
Property Insights of 草酸二苄酯
The XLogP value of 3.4 indicates that 草酸二苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 草酸二苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草酸二苄酯 has 0 hydrogen bond donor(s) and 4 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 草酸二苄酯?
The CAS number of 草酸二苄酯 is 7579-36-4.
What is the molecular formula of 草酸二苄酯?
The molecular formula of 草酸二苄酯 is C16H14O4.
What is the molecular weight of 草酸二苄酯?
The molecular weight of 草酸二苄酯 is 270.09 g/mol.
Where can I buy 草酸二苄酯?
You can request a quote for 草酸二苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酸二苄酯?
Yes, KEHONG BIO provides custom synthesis services for 草酸二苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.