![3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile structure](/static/products/315/315673-07-5.png)
3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile
TL;DR: 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile (CAS 315673-07-5) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylideneamino)benzonitrile
Also Known As: TimTec1_002661, 3-[(1,3-benzodioxol-5-ylmethylene)amino]benzonitrile, 3-(1,3-benzodioxol-5-ylmethylideneamino)benzonitrile, AN-329/40357266, 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzonitrile
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 315673-07-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC(=C3)C#N |
| InChIKey | JGIKYVYFTHRBNG-UHFFFAOYSA-N |
Product Overview
3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile (CAS 315673-07-5), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylideneamino)benzonitrile.
Chemical Property Profile of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile
Property Insights of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile. With a topological polar surface area (TPSA) of 54.6 Ų, 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile 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 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile?
The CAS number of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile is 315673-07-5.
What is the molecular formula of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile?
The molecular formula of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile is C15H10N2O2.
What is the molecular weight of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile?
The molecular weight of 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile is 250.07 g/mol.
Where can I buy 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile?
You can request a quote for 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-Benzodioxol-5-ylmethylene)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.