(((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 1024391-54-5) is a chemical compound with molecular formula C14H8BrN3 and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4-bromonaphthalen-1-yl)amino]methylidene]propanedinitrile
Also Known As: (((4-BROMONAPHTHYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[(4-bromonaphthalen-1-yl)amino]methylidene]propanedinitrile, 2-[[(4-bromo-1-naphthyl)amino]methylene]propanedinitrile, 2-{[(4-bromonaphthalen-1-yl)amino]methylidene}propanedinitrile
| Molecular Formula | C14H8BrN3 |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.94526 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.99017 |
| Heavy Atoms | 18 |
| Complexity | 689.0314 |
Chemical Identifiers
| CAS Number | 1024391-54-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)NC=C(C#N)C#N |
Product Overview
(((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 1024391-54-5), with molecular formula C14H8BrN3 and molecular weight 296.99 g/mol. IUPAC: 2-[[(4-bromonaphthalen-1-yl)amino]methylidene]propanedinitrile.
Chemical Property Profile of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 3.94526 indicates that (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile has 1 hydrogen bond donor(s) and 3 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 (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile is 1024391-54-5.
What is the molecular formula of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile is C14H8BrN3.
What is the molecular weight of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile is 296.99 g/mol.
Where can I buy (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((4-Bromonaphthyl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.