1,4-Benzoquinone-2,5-dimustard
TL;DR: 1,4-Benzoquinone-2,5-dimustard (CAS 15482-81-2) is a chemical compound with molecular formula C14H18Cl4N2O2 and molecular weight 386.01224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis[bis(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dione
Also Known As: 1,4-Bqdm, 1,4-Benzoquinone-2,5-dimustard, Benzoquinone dimustard, Mer NF8054A, Mer-NF8054A
Technical Specifications
| Molecular Formula | C14H18Cl4N2O2 |
| Molecular Weight | 386.01224 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.00928 Da |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
| SMILES | C1=C(C(=O)C=C(C1=O)N(CCCl)CCCl)N(CCCl)CCCl |
| InChIKey | ZYPXOVBSTMWXQK-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzoquinone-2,5-dimustard
Property Insights of 1,4-Benzoquinone-2,5-dimustard
The XLogP value of 3.4 indicates that 1,4-Benzoquinone-2,5-dimustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,4-Benzoquinone-2,5-dimustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzoquinone-2,5-dimustard 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
What is the CAS number of 1,4-Benzoquinone-2,5-dimustard?
The CAS number of 1,4-Benzoquinone-2,5-dimustard is 15482-81-2.
What is the molecular formula of 1,4-Benzoquinone-2,5-dimustard?
The molecular formula of 1,4-Benzoquinone-2,5-dimustard is C14H18Cl4N2O2.
What is the molecular weight of 1,4-Benzoquinone-2,5-dimustard?
The molecular weight of 1,4-Benzoquinone-2,5-dimustard is 386.01224 g/mol.
Where can I buy 1,4-Benzoquinone-2,5-dimustard?
You can request a quote for 1,4-Benzoquinone-2,5-dimustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzoquinone-2,5-dimustard?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzoquinone-2,5-dimustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.