草酸二正丁酯
TL;DR: 草酸二正丁酯 (CAS 2050-60-4) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酸二正丁酯
dibutyl oxalate
Also Known As: Dibutyl oxalate, Di-n-butyl oxalate, Butyl oxalate, Butyl ethanedioate, dibutyl ethanedioate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
| Melting Point | -29 °C |
| Boiling Point | 241.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.09 [mmHg] |
Chemical Identifiers
| CAS Number | 2050-60-4 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)OCCCC |
| InChIKey | JKRZOJADNVOXPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草酸二正丁酯 (CAS 2050-60-4), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: dibutyl oxalate.
Chemical Property Profile of 草酸二正丁酯
Property Insights of 草酸二正丁酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草酸二正丁酯. With a topological polar surface area (TPSA) of 52.6 Ų, 草酸二正丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草酸二正丁酯 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 草酸二正丁酯?
The CAS number of 草酸二正丁酯 is 2050-60-4.
What is the molecular formula of 草酸二正丁酯?
The molecular formula of 草酸二正丁酯 is C10H18O4.
What is the molecular weight of 草酸二正丁酯?
The molecular weight of 草酸二正丁酯 is 202.12 g/mol.
Where can I buy 草酸二正丁酯?
You can request a quote for 草酸二正丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酸二正丁酯?
Yes, KEHONG BIO provides custom synthesis services for 草酸二正丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.