![3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile structure](/static/products/941/94111-92-9.png)
3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile
TL;DR: 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile (CAS 94111-92-9) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl-[(2-hydroxy-4,5-dimethylphenyl)methyl]amino]propanenitrile
Also Known As: NCIOpen2_003301, 3,3'-[(2-hydroxy-4,5-dimethylbenzyl)imino]dipropanenitrile, 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile, 3-[2-cyanoethyl-[(2-hydroxy-4,5-dimethylphenyl)methyl]amino], 3-[2-cyanoethyl-[(2-hydroxy-4,5-dimethylphenyl)methyl]amino]propanenitrile
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 94111-92-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)CN(CCC#N)CCC#N |
| InChIKey | SRUPHANWRWLNBU-UHFFFAOYSA-N |
Product Overview
3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile (CAS 94111-92-9), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 3-[2-cyanoethyl-[(2-hydroxy-4,5-dimethylphenyl)methyl]amino]propanenitrile.
Chemical Property Profile of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile
Property Insights of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile. Following Lipinski's Rule of Five, 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile has 1 hydrogen bond donor(s) and 4 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 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile?
The CAS number of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile is 94111-92-9.
What is the molecular formula of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile?
The molecular formula of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile is C15H19N3O.
What is the molecular weight of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile?
The molecular weight of 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile is 257.15 g/mol.
Where can I buy 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile?
You can request a quote for 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-{[(2-Hydroxy-4,5-dimethylphenyl)methyl]azanediyl}dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.