3,5-Dibenzoylheptanedinitrile
TL;DR: 3,5-Dibenzoylheptanedinitrile (CAS 125503-44-8) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibenzoylheptanedinitrile
Also Known As: 3,5-dibenzoylheptanedinitrile
Technical Specifications
| Molecular Formula | C21H18N2O2 |
| Molecular Weight | 330.13684 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.13684 Da |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C(CC#N)CC(CC#N)C(=O)C2=CC=CC=C2 |
| InChIKey | NCZTWKGRVOLRBZ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dibenzoylheptanedinitrile
Property Insights of 3,5-Dibenzoylheptanedinitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibenzoylheptanedinitrile. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibenzoylheptanedinitrile. Following Lipinski's Rule of Five, 3,5-Dibenzoylheptanedinitrile 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
What is the CAS number of 3,5-Dibenzoylheptanedinitrile?
The CAS number of 3,5-Dibenzoylheptanedinitrile is 125503-44-8.
What is the molecular formula of 3,5-Dibenzoylheptanedinitrile?
The molecular formula of 3,5-Dibenzoylheptanedinitrile is C21H18N2O2.
What is the molecular weight of 3,5-Dibenzoylheptanedinitrile?
The molecular weight of 3,5-Dibenzoylheptanedinitrile is 330.13684 g/mol.
Where can I buy 3,5-Dibenzoylheptanedinitrile?
You can request a quote for 3,5-Dibenzoylheptanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dibenzoylheptanedinitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Dibenzoylheptanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.