![{[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile structure](/static/products/771/77151-46-3.png)
{[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile
TL;DR: {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile (CAS 77151-46-3) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(azepan-1-yl)furan-2-yl]methylidene]propanedinitrile
Also Known As: OJGRYDFNLKLAKZ-UHFFFAOYSA-, BAS 06899555, AE-848/10129053, 2-[(5-azepan-1-yl-2-furyl)methylene]malononitrile, 2-(5-Azepan-1-yl-furan-2-ylmethylene)-malononitrile
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 3.09056 |
| Topological Polar Surface Area | 63.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 491.8768 |
Chemical Identifiers
| CAS Number | 77151-46-3 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(O2)C=C(C#N)C#N |
Product Overview
{[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile (CAS 77151-46-3), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 2-[[5-(azepan-1-yl)furan-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile
Property Insights of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile
The XLogP value of 3.09056 indicates that {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.96 Ų falls within the moderate polarity range, balancing permeability and solubility for {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile. Following Lipinski's Rule of Five, {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile has 0 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 {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile?
The CAS number of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile is 77151-46-3.
What is the molecular formula of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile?
The molecular formula of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile is C14H15N3O.
What is the molecular weight of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile?
The molecular weight of {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile is 241.12 g/mol.
Where can I buy {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile?
You can request a quote for {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[5-(Azepan-1-yl)furan-2-yl]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.