B826
TL;DR: B826 (CAS 98270-76-9) is a chemical compound with molecular formula C31H31Cl2N5 and molecular weight 543.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,5-bis(4-chlorophenyl)-3-[3-(diethylamino)propylimino]phenazin-2-amine
Also Known As: B826, B 826, J1.545.790B, (4-Aza-4-(10-(4-chlorophenyl)-3-((4-chlorophenyl)amino)(10-hydrophenazin-2-ylidene))butyl)diethylamine, N,5-bis(4-chlorophenyl)-3-[3-(diethylamino)propylimino]phenazin-2-amine
| Molecular Formula | C31H31Cl2N5 |
|---|---|
| Molecular Weight | 543.20 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.1957 |
| Heavy Atoms | 38 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 98270-76-9 |
|---|---|
| SMILES | CCN(CC)CCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl |
| InChIKey | GYMNTCKUAQFLAA-UHFFFAOYSA-N |
Product Overview
B826 (CAS 98270-76-9), with molecular formula C31H31Cl2N5 and molecular weight 543.20 g/mol. IUPAC: N,5-bis(4-chlorophenyl)-3-[3-(diethylamino)propylimino]phenazin-2-amine.
Chemical Property Profile of B826
Property Insights of B826
The XLogP value of 7.4 indicates that B826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, B826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B826 has 1 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 B826?
The CAS number of B826 is 98270-76-9.
What is the molecular formula of B826?
The molecular formula of B826 is C31H31Cl2N5.
What is the molecular weight of B826?
The molecular weight of B826 is 543.20 g/mol.
Where can I buy B826?
You can request a quote for B826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B826?
Yes, KEHONG BIO provides custom synthesis services for B826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.