CCRIS 8390
TL;DR: CCRIS 8390 (CAS 166546-18-5) is a chemical compound with molecular formula C29H32ClN7 and molecular weight 513.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-ethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Also Known As: N-(2-Chloroethyl) N-ethyl-4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)benzenamine, N-(2-CHLOROETHYL)-N-ETHYL-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL)-2'-YL)-BENZENAMINE, N-(2-Chloroethyl)-N-ethyl-4-[6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bi-1,3-benzimidazol]-2'-yl]aniline, N-(2-chloroethyl)-N-ethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline, N-(2-chloroethyl)-N-ethyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}aniline
| Molecular Formula | C29H32ClN7 |
|---|---|
| Molecular Weight | 513.24 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.2408 |
| Heavy Atoms | 37 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 166546-18-5 |
|---|---|
| SMILES | CCN(CCCl)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C |
| InChIKey | QSELDYSWXHJKHT-UHFFFAOYSA-N |
Product Overview
CCRIS 8390 (CAS 166546-18-5), with molecular formula C29H32ClN7 and molecular weight 513.24 g/mol. IUPAC: N-(2-chloroethyl)-N-ethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline.
Chemical Property Profile of CCRIS 8390
Property Insights of CCRIS 8390
The XLogP value of 5.4 indicates that CCRIS 8390 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 8390. Following Lipinski's Rule of Five, CCRIS 8390 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 8390?
The CAS number of CCRIS 8390 is 166546-18-5.
What is the molecular formula of CCRIS 8390?
The molecular formula of CCRIS 8390 is C29H32ClN7.
What is the molecular weight of CCRIS 8390?
The molecular weight of CCRIS 8390 is 513.24 g/mol.
Where can I buy CCRIS 8390?
You can request a quote for CCRIS 8390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 8390?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 8390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.