3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone
TL;DR: 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone (CAS 111822-93-6) is a chemical compound with molecular formula C19H17Cl2NO4 and molecular weight 393.05347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione
Also Known As: 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone, 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione, 2-[[Bis(2-chloroethyl)amino]methyl]-4,5-dihydroxyanthraquinone, 3-((Bis(2-chloroethyl)amino)methyl)-1,8-dihydroxyanthracene-9,10-dione, 3-[bis(2-chloroethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H17Cl2NO4 |
| Molecular Weight | 393.05347 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.05347 Da |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CN(CCCl)CCCl |
| InChIKey | ZGEUYISZDDGVTQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone
Property Insights of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone
The XLogP value of 3.7 indicates that 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone. Following Lipinski's Rule of Five, 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The CAS number of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone is 111822-93-6.
What is the molecular formula of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The molecular formula of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone is C19H17Cl2NO4.
What is the molecular weight of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The molecular weight of 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone is 393.05347 g/mol.
Where can I buy 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone?
You can request a quote for 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone?
Yes, CoreyChem provides custom synthesis services for 3-Bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.