Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-
TL;DR: Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- (CAS 25665-01-4) is a chemical compound with molecular formula C15H17N3O2 and molecular weight 271.13 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-methylphenyl]methylidene]propanedinitrile
Also Known As: KST-1B2446, {4-[bis(2-hydroxyethyl)amino]-2-methylbenzylidene}malononitrile, Propanedinitrile, [[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-, ((4-(Bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)malononitrile, [[4-[BIS(2-HYDROXYETHYL)AMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILE
| Molecular Formula | C15H17N3O2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.13208 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 25665-01-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCO)CCO)C=C(C#N)C#N |
| InChIKey | XCHBWNUDMKFJDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- (CAS 25665-01-4), with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol. IUPAC: 2-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-
Property Insights of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-. Following Lipinski's Rule of Five, Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- has 2 hydrogen bond donor(s) and 5 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 Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-?
The CAS number of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- is 25665-01-4.
What is the molecular formula of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-?
The molecular formula of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- is C15H17N3O2.
What is the molecular weight of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-?
The molecular weight of Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- is 271.13 g/mol.
Where can I buy Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-?
You can request a quote for Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.