![2-[(3-Bromophenyl)methylene]propanedinitrile structure](/static/products/2972/2972-74-9.webp)
2-[(3-Bromophenyl)methylene]propanedinitrile
TL;DR: 2-[(3-Bromophenyl)methylene]propanedinitrile (CAS 2972-74-9) is a chemical compound with molecular formula C10H5BrN2 and molecular weight 231.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylidene]propanedinitrile
Also Known As: (3-Bromobenzylidene)malononitrile, 2-(3-Bromobenzylidene)malononitrile, 2-[(3-bromophenyl)methylidene]propanedinitrile, 2-[(3-bromophenyl)methylene]propanedinitrile, (3-bromobenzylidene)propanedinitrile
| Molecular Formula | C10H5BrN2 |
|---|---|
| Molecular Weight | 231.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.96361 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 2972-74-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C=C(C#N)C#N |
| InChIKey | KWFDPQVAZMUCMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-Bromophenyl)methylene]propanedinitrile (CAS 2972-74-9), with molecular formula C10H5BrN2 and molecular weight 231.96 g/mol. IUPAC: 2-[(3-bromophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(3-Bromophenyl)methylene]propanedinitrile
Property Insights of 2-[(3-Bromophenyl)methylene]propanedinitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Bromophenyl)methylene]propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(3-Bromophenyl)methylene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Bromophenyl)methylene]propanedinitrile has 0 hydrogen bond donor(s) and 2 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 2-[(3-Bromophenyl)methylene]propanedinitrile?
The CAS number of 2-[(3-Bromophenyl)methylene]propanedinitrile is 2972-74-9.
What is the molecular formula of 2-[(3-Bromophenyl)methylene]propanedinitrile?
The molecular formula of 2-[(3-Bromophenyl)methylene]propanedinitrile is C10H5BrN2.
What is the molecular weight of 2-[(3-Bromophenyl)methylene]propanedinitrile?
The molecular weight of 2-[(3-Bromophenyl)methylene]propanedinitrile is 231.96 g/mol.
Where can I buy 2-[(3-Bromophenyl)methylene]propanedinitrile?
You can request a quote for 2-[(3-Bromophenyl)methylene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromophenyl)methylene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromophenyl)methylene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.