![3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile structure](/static/products/924/92440-03-4.png)
3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile
TL;DR: 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile (CAS 92440-03-4) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]propanenitrile
Also Known As: NCIOpen2_003461, J3.486.085H, 3,3 -(2-Hydroxy-5-methylbenzylimino)bispropanenitrile, 2-{[Bis-(2-cyano-aethyl)-amino]-methyl}-4-methyl-phenol, 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 92440-03-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)CN(CCC#N)CCC#N |
| InChIKey | XBPZBQLSJZAQML-UHFFFAOYSA-N |
Product Overview
3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile (CAS 92440-03-4), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-[2-cyanoethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]propanenitrile.
Chemical Property Profile of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile
Property Insights of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile. Following Lipinski's Rule of Five, 3,3'-{[(2-Hydroxy-5-methylphenyl)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-5-methylphenyl)methyl]azanediyl}dipropanenitrile?
The CAS number of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile is 92440-03-4.
What is the molecular formula of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile?
The molecular formula of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile is C14H17N3O.
What is the molecular weight of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile?
The molecular weight of 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile is 243.14 g/mol.
Where can I buy 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile?
You can request a quote for 3,3'-{[(2-Hydroxy-5-methylphenyl)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-5-methylphenyl)methyl]azanediyl}dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-{[(2-Hydroxy-5-methylphenyl)methyl]azanediyl}dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.