CCRIS 8391
TL;DR: CCRIS 8391 (CAS 166546-19-6) is a chemical compound with molecular formula C29H31Cl2N7 and molecular weight 547.2018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Also Known As: N,N-Bis(2-chloroethyl)-4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)benzenamine, N,N-Bis(2-chloroethyl)-4-(6-(6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl)aniline, BENZENAMINE, N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL)-2'-YL)-, N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL-2'-YL)-BENZENAMINE, N,N-Bis(2-chloroethyl)-4-[5-(4-methyl-1-piperazinyl)-2,5 -bi[1H-benzimidazol]-2 -yl]aniline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H31Cl2N7 |
| Molecular Weight | 547.2018 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2018 Da |
| Heavy Atoms | 38 |
| Complexity | 738.0 |
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(CCCl)CCCl |
| InChIKey | BGUPMWNOAXIUCI-UHFFFAOYSA-N |
Chemical Property Profile of CCRIS 8391
Property Insights of CCRIS 8391
The XLogP value of 5.6 indicates that CCRIS 8391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 8391. Following Lipinski's Rule of Five, CCRIS 8391 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CCRIS 8391?
The CAS number of CCRIS 8391 is 166546-19-6.
What is the molecular formula of CCRIS 8391?
The molecular formula of CCRIS 8391 is C29H31Cl2N7.
What is the molecular weight of CCRIS 8391?
The molecular weight of CCRIS 8391 is 547.2018 g/mol.
Where can I buy CCRIS 8391?
You can request a quote for CCRIS 8391 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CCRIS 8391?
Yes, CoreyChem provides custom synthesis services for CCRIS 8391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.