CCRIS 8394
TL;DR: CCRIS 8394 (CAS 166546-22-1) is a chemical compound with molecular formula C32H37Cl2N7 and molecular weight 589.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-[6-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]propyl]-1H-benzimidazol-2-yl]aniline
Also Known As: N,N-Bis(2-chloroethyl)-4-(5-(3-(5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl)propyl)-1H-benzimidazol-2-yl)benzenamine, N,N-Bis(2-chloroethyl)-4-(6-(3-(6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)propyl)-1H-benzimidazol-2-yl)aniline, BENZENAMINE, N,N-BIS(2-CHLOROETHYL)-4-(6-(3-(6-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL)PROPYL)-1H-BENZIMIDAZOL-2-YL)-BIS(2-CHLOROETHYL)AMINE, N,N-BIS(2-CHLOROETHYL)-4-(5-(3-(5-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL)PROPYL)-1H-BENZIMIDA ZOL-2-YL)-BENZENAMINE, N,N-BIS(2-CHLOROETHYL)-4-(6-(3-(6-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL)PROPYL)-1H-BENZIMIDAZOL-2-YL)BENZENAMINE
| Molecular Formula | C32H37Cl2N7 |
|---|---|
| Molecular Weight | 589.25 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 589.2488 |
| Heavy Atoms | 41 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 166546-22-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)CCCC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(CCCl)CCCl |
| InChIKey | RDZLKXCXRNVKER-UHFFFAOYSA-N |
Product Overview
CCRIS 8394 (CAS 166546-22-1), with molecular formula C32H37Cl2N7 and molecular weight 589.25 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-[6-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]propyl]-1H-benzimidazol-2-yl]aniline.
Chemical Property Profile of CCRIS 8394
Property Insights of CCRIS 8394
The XLogP value of 6.6 indicates that CCRIS 8394 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 8394. Following Lipinski's Rule of Five, CCRIS 8394 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCRIS 8394?
The CAS number of CCRIS 8394 is 166546-22-1.
What is the molecular formula of CCRIS 8394?
The molecular formula of CCRIS 8394 is C32H37Cl2N7.
What is the molecular weight of CCRIS 8394?
The molecular weight of CCRIS 8394 is 589.25 g/mol.
Where can I buy CCRIS 8394?
You can request a quote for CCRIS 8394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 8394?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 8394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.