Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol
TL;DR: Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol (CAS 73680-57-6) is a chemical compound with molecular formula C14H14IN3O2 and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile;prop-2-en-1-amine
Also Known As: Allylammonium 4-dicyanovinyl-2-iodo-6-methoxyphenoxide, ALLYLAMINE, compd. with 4-DICYANOVINYL-2-IODO-6-METHOXYPHENOL, [(4-Hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile--prop-2-en-1-amine (1/1), 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile; prop-2-en-1-amine, Propanedinitrile, [(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]-, compd. with 2-propen-1-amine (1:1)
| Molecular Formula | C14H14IN3O2 |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.01306 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 73680-57-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C(C#N)C#N)I)O.C=CCN |
| InChIKey | GSNVUGVHTBICIY-UHFFFAOYSA-N |
Product Overview
Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol (CAS 73680-57-6), with molecular formula C14H14IN3O2 and molecular weight 383.01 g/mol. IUPAC: 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile;prop-2-en-1-amine.
Chemical Property Profile of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol
Property Insights of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol. Following Lipinski's Rule of Five, Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol 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 Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol?
The CAS number of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol is 73680-57-6.
What is the molecular formula of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol?
The molecular formula of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol is C14H14IN3O2.
What is the molecular weight of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol?
The molecular weight of Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol is 383.01 g/mol.
Where can I buy Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol?
You can request a quote for Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for Allylamine, compd. with 4-dicyanovinyl-2-iodo-6-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.