![[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile structure](/static/products/3402/340211-90-7.webp)
[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
TL;DR: [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile (CAS 340211-90-7) is a chemical compound with molecular formula C11H5ClN2O2 and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
Also Known As: BAS 02273477, [(6-chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile, 2-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-malononitrile, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
| Molecular Formula | C11H5ClN2O2 |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 2.49926 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.00395 |
| Heavy Atoms | 16 |
| Complexity | 536.3286 |
Chemical Identifiers
| CAS Number | 340211-90-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C#N)Cl |
Product Overview
[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile (CAS 340211-90-7), with molecular formula C11H5ClN2O2 and molecular weight 232.00 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
Property Insights of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
The XLogP value of 2.49926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(6-Chloro-1,3-benzodioxol-5-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 [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The CAS number of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is 340211-90-7.
What is the molecular formula of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The molecular formula of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is C11H5ClN2O2.
What is the molecular weight of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The molecular weight of [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is 232.00 g/mol.
Where can I buy [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
You can request a quote for [(6-Chloro-1,3-benzodioxol-5-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 [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(6-Chloro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.