4-Cyanobenzene-1,2-dicarboxamide
TL;DR: 4-Cyanobenzene-1,2-dicarboxamide (CAS 78799-78-7) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanobenzene-1,2-dicarboxamide
Also Known As: 4-cyanobenzene-1,2-dicarboxamide
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 78799-78-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)C(=O)N)C(=O)N |
| InChIKey | UIPRPGDYAFNCBR-UHFFFAOYSA-N |
Product Overview
4-Cyanobenzene-1,2-dicarboxamide (CAS 78799-78-7), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 4-cyanobenzene-1,2-dicarboxamide.
Chemical Property Profile of 4-Cyanobenzene-1,2-dicarboxamide
Property Insights of 4-Cyanobenzene-1,2-dicarboxamide
The XLogP value of -0.6 indicates that 4-Cyanobenzene-1,2-dicarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanobenzene-1,2-dicarboxamide. Following Lipinski's Rule of Five, 4-Cyanobenzene-1,2-dicarboxamide has 2 hydrogen bond donor(s) and 3 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 4-Cyanobenzene-1,2-dicarboxamide?
The CAS number of 4-Cyanobenzene-1,2-dicarboxamide is 78799-78-7.
What is the molecular formula of 4-Cyanobenzene-1,2-dicarboxamide?
The molecular formula of 4-Cyanobenzene-1,2-dicarboxamide is C9H7N3O2.
What is the molecular weight of 4-Cyanobenzene-1,2-dicarboxamide?
The molecular weight of 4-Cyanobenzene-1,2-dicarboxamide is 189.05 g/mol.
Where can I buy 4-Cyanobenzene-1,2-dicarboxamide?
You can request a quote for 4-Cyanobenzene-1,2-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzene-1,2-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzene-1,2-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.