CTK3I7718
TL;DR: CTK3I7718 (CAS 22254-88-2) is a chemical compound with molecular formula C32H42N4O6 and molecular weight 578.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile
Also Known As: KST-1B9586, {4,4'',5'-tris[bis(2-hydroxyethyl)amino]-1,1':3',1''-terphenyl-2'-yl}acetonitrile, 2-[4-(bis(2-hydroxyethyl)amino)-2,6-bis[4-(bis(2-hydroxyethyl)amino)phenyl]phenyl]acetonitrile, Benzeneacetonitrile, 4-(bis(2-hydroxyethyl)amino)-alpha,alpha-bis(4-(bis(2-hydroxyethyl)amino)phenyl)-, 2-[4-[bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile
| Molecular Formula | C32H42N4O6 |
|---|---|
| Molecular Weight | 578.31 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 578.3104 |
| Heavy Atoms | 42 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 22254-88-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2CC#N)C3=CC=C(C=C3)N(CCO)CCO)N(CCO)CCO)N(CCO)CCO |
| InChIKey | CDUWPUXWSJLPJR-UHFFFAOYSA-N |
Product Overview
CTK3I7718 (CAS 22254-88-2), with molecular formula C32H42N4O6 and molecular weight 578.31 g/mol. IUPAC: 2-[4-[bis(2-hydroxyethyl)amino]-2,6-bis[4-[bis(2-hydroxyethyl)amino]phenyl]phenyl]acetonitrile.
Chemical Property Profile of CTK3I7718
Property Insights of CTK3I7718
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3I7718. The TPSA of 155.0 Ų indicates high polarity, suggesting CTK3I7718 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3I7718 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3I7718?
The CAS number of CTK3I7718 is 22254-88-2.
What is the molecular formula of CTK3I7718?
The molecular formula of CTK3I7718 is C32H42N4O6.
What is the molecular weight of CTK3I7718?
The molecular weight of CTK3I7718 is 578.31 g/mol.
Where can I buy CTK3I7718?
You can request a quote for CTK3I7718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I7718?
Yes, KEHONG BIO provides custom synthesis services for CTK3I7718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.