1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione
TL;DR: 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione (CAS 59026-29-8) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 300.04324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[bis(2-chloroethyl)aminomethyl]indole-2,3-dione
Also Known As: AO 6 (Flame retardant), NCIOpen2_007599, KST-1B6164, 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione, 1-[bis(2-chloroethyl)aminomethyl]indole-2,3-dione
Technical Specifications
| Molecular Formula | C13H14Cl2N2O2 |
| Molecular Weight | 300.04324 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.04324 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2CN(CCCl)CCCl |
| InChIKey | KPBPOHZNBRDOGP-UHFFFAOYSA-N |
Chemical Property Profile of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione
Property Insights of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 40.6 Ų, 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 3 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-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione?
The CAS number of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione is 59026-29-8.
What is the molecular formula of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione?
The molecular formula of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione is C13H14Cl2N2O2.
What is the molecular weight of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione?
The molecular weight of 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione is 300.04324 g/mol.
Where can I buy 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione?
You can request a quote for 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.