4-Cyano-N-(prop-2-YN-1-YL)benzamide
TL;DR: 4-Cyano-N-(prop-2-YN-1-YL)benzamide (CAS 82225-35-2) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-prop-2-ynylbenzamide
Also Known As: 4-cyano-N-prop-2-ynylbenzamide, 4-Cyano-N-(2-propynyl)benzamide, 4-CYANO-N-(PROP-2-YN-1-YL)BENZAMIDE, 4-cyano-N-prop-2-ynyl-benzamide, Benzamide, 4-cyano-N-2-propyn-1-yl-
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 82225-35-2 |
|---|---|
| SMILES | C#CCNC(=O)C1=CC=C(C=C1)C#N |
| InChIKey | PQNZTIVSDYFQDD-UHFFFAOYSA-N |
Product Overview
4-Cyano-N-(prop-2-YN-1-YL)benzamide (CAS 82225-35-2), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 4-cyano-N-prop-2-ynylbenzamide.
Chemical Property Profile of 4-Cyano-N-(prop-2-YN-1-YL)benzamide
Property Insights of 4-Cyano-N-(prop-2-YN-1-YL)benzamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-N-(prop-2-YN-1-YL)benzamide. With a topological polar surface area (TPSA) of 52.9 Ų, 4-Cyano-N-(prop-2-YN-1-YL)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-N-(prop-2-YN-1-YL)benzamide has 1 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 4-Cyano-N-(prop-2-YN-1-YL)benzamide?
The CAS number of 4-Cyano-N-(prop-2-YN-1-YL)benzamide is 82225-35-2.
What is the molecular formula of 4-Cyano-N-(prop-2-YN-1-YL)benzamide?
The molecular formula of 4-Cyano-N-(prop-2-YN-1-YL)benzamide is C11H8N2O.
What is the molecular weight of 4-Cyano-N-(prop-2-YN-1-YL)benzamide?
The molecular weight of 4-Cyano-N-(prop-2-YN-1-YL)benzamide is 184.06 g/mol.
Where can I buy 4-Cyano-N-(prop-2-YN-1-YL)benzamide?
You can request a quote for 4-Cyano-N-(prop-2-YN-1-YL)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-N-(prop-2-YN-1-YL)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-N-(prop-2-YN-1-YL)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.