![[5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile structure](/static/products/301/301811-86-9.png)
[5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile
TL;DR: [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile (CAS 301811-86-9) is a chemical compound with molecular formula C21H13ClN2O and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]propanedinitrile
Also Known As: [5-chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile, 2-(5-chloro-2-(naphthalen-1-ylmethoxy)benzylidene)malononitrile, {[5-chloro-2-(naphthylmethoxy)phenyl]methylene}methane-1,1-dicarbonitrile, 2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]propanedinitrile
| Molecular Formula | C21H13ClN2O |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 5.50276 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.07166 |
| Heavy Atoms | 25 |
| Complexity | 1020.4308 |
Chemical Identifiers
| CAS Number | 301811-86-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Cl)C=C(C#N)C#N |
Product Overview
[5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile (CAS 301811-86-9), with molecular formula C21H13ClN2O and molecular weight 344.07 g/mol. IUPAC: 2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile
Property Insights of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile
The XLogP value of 5.50276 indicates that [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile?
The CAS number of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile is 301811-86-9.
What is the molecular formula of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile?
The molecular formula of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile is C21H13ClN2O.
What is the molecular weight of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile?
The molecular weight of [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile is 344.07 g/mol.
Where can I buy [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile?
You can request a quote for [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [5-Chloro-2-(naphthalen-1-ylmethoxy)benzylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.