RefChem:198025
TL;DR: RefChem:198025 (CAS 73826-31-0) is a chemical compound with molecular formula C24H26N6O2 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[[bis(2-cyanoethyl)amino]methyl]-1,5-dihydroxynaphthalen-2-yl]methyl-(2-cyanoethyl)amino]propanenitrile
Also Known As: 3,3',3'',3'''-((1,5-Dihydroxy-2,6-naphthylene)bis(methylenenitrilo))tetrapropionitrile, Propionitrile, 3,3',3'',3'''-((1,5-dihydroxy-2,6-naphthylene)bis(methylenenitrilo))tetra-, Propanenitrile, 3,3',3'',3'''-((1,5-dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo))tetrakis-, 3,3',3'',3'''-((1,5-Dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo))tetrakis-propanenitrile, 3-[[6-[[bis(2-cyanoethyl)amino]methyl]-1,5-dihydroxynaphthal
| Molecular Formula | C24H26N6O2 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.21173 |
| Heavy Atoms | 32 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 73826-31-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2O)CN(CCC#N)CCC#N)C(=C1CN(CCC#N)CCC#N)O |
| InChIKey | HDRKOCPBVISWHT-UHFFFAOYSA-N |
Product Overview
RefChem:198025 (CAS 73826-31-0), with molecular formula C24H26N6O2 and molecular weight 430.21 g/mol. IUPAC: 3-[[6-[[bis(2-cyanoethyl)amino]methyl]-1,5-dihydroxynaphthalen-2-yl]methyl-(2-cyanoethyl)amino]propanenitrile.
Chemical Property Profile of RefChem:198025
Property Insights of RefChem:198025
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:198025. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:198025 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:198025 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:198025?
The CAS number of RefChem:198025 is 73826-31-0.
What is the molecular formula of RefChem:198025?
The molecular formula of RefChem:198025 is C24H26N6O2.
What is the molecular weight of RefChem:198025?
The molecular weight of RefChem:198025 is 430.21 g/mol.
Where can I buy RefChem:198025?
You can request a quote for RefChem:198025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:198025?
Yes, KEHONG BIO provides custom synthesis services for RefChem:198025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.