2,3-Bis(chloromethyl)-1,4-naphthoquinone
TL;DR: 2,3-Bis(chloromethyl)-1,4-naphthoquinone (CAS 31581-11-0) is a chemical compound with molecular formula C12H8Cl2O2 and molecular weight 253.99013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(chloromethyl)naphthalene-1,4-dione
Also Known As: CMNQ, N-2,3-Xylylmaleimide, 2,3-Bis(chloromethyl)-1,4-naphthoquinone, 2,3-bis(chloromethyl)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2,3-bis(chloromethyl)-
Technical Specifications
| Molecular Formula | C12H8Cl2O2 |
| Molecular Weight | 253.99013 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.99013 Da |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)CCl)CCl |
| InChIKey | GYYQVIJEJDNZFI-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Bis(chloromethyl)-1,4-naphthoquinone
Property Insights of 2,3-Bis(chloromethyl)-1,4-naphthoquinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(chloromethyl)-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3-Bis(chloromethyl)-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(chloromethyl)-1,4-naphthoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Bis(chloromethyl)-1,4-naphthoquinone?
The CAS number of 2,3-Bis(chloromethyl)-1,4-naphthoquinone is 31581-11-0.
What is the molecular formula of 2,3-Bis(chloromethyl)-1,4-naphthoquinone?
The molecular formula of 2,3-Bis(chloromethyl)-1,4-naphthoquinone is C12H8Cl2O2.
What is the molecular weight of 2,3-Bis(chloromethyl)-1,4-naphthoquinone?
The molecular weight of 2,3-Bis(chloromethyl)-1,4-naphthoquinone is 253.99013 g/mol.
Where can I buy 2,3-Bis(chloromethyl)-1,4-naphthoquinone?
You can request a quote for 2,3-Bis(chloromethyl)-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Bis(chloromethyl)-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2,3-Bis(chloromethyl)-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.