方酸二正丁酯
TL;DR: 方酸二正丁酯 (CAS 2892-62-8) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
方酸二正丁酯
3,4-dibutoxycyclobut-3-ene-1,2-dione
Also Known As: Dibutyl squarate, Squaric acid dibutyl ester, 3,4-dibutoxycyclobut-3-ene-1,2-dione, 3,4-Dibutoxy-3-cyclobutene-1,2-dione, SADBE
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 2892-62-8 |
|---|---|
| SMILES | CCCCOC1=C(C(=O)C1=O)OCCCC |
| InChIKey | XBRWELTXMQSEIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
方酸二正丁酯 (CAS 2892-62-8), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 3,4-dibutoxycyclobut-3-ene-1,2-dione.
Chemical Property Profile of 方酸二正丁酯
Property Insights of 方酸二正丁酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 方酸二正丁酯. With a topological polar surface area (TPSA) of 52.6 Ų, 方酸二正丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 方酸二正丁酯 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 方酸二正丁酯?
The CAS number of 方酸二正丁酯 is 2892-62-8.
What is the molecular formula of 方酸二正丁酯?
The molecular formula of 方酸二正丁酯 is C12H18O4.
What is the molecular weight of 方酸二正丁酯?
The molecular weight of 方酸二正丁酯 is 226.12 g/mol.
Where can I buy 方酸二正丁酯?
You can request a quote for 方酸二正丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 方酸二正丁酯?
Yes, KEHONG BIO provides custom synthesis services for 方酸二正丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.