Benzoylamidoacetonitrile
TL;DR: Benzoylamidoacetonitrile (CAS 5692-27-3) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)benzamide
Also Known As: N-(Cyanomethyl)benzamide, Benzamidoacetonitrile, Hippuronitrile, Benzoylamidoacetonitrile, Benzoylaminoacetonitrile
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 5692-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC#N |
| InChIKey | LPKZSPQPPSEVSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylamidoacetonitrile (CAS 5692-27-3), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: N-(cyanomethyl)benzamide.
Chemical Property Profile of Benzoylamidoacetonitrile
Property Insights of Benzoylamidoacetonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylamidoacetonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, Benzoylamidoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylamidoacetonitrile 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 Benzoylamidoacetonitrile?
The CAS number of Benzoylamidoacetonitrile is 5692-27-3.
What is the molecular formula of Benzoylamidoacetonitrile?
The molecular formula of Benzoylamidoacetonitrile is C9H8N2O.
What is the molecular weight of Benzoylamidoacetonitrile?
The molecular weight of Benzoylamidoacetonitrile is 160.06 g/mol.
Where can I buy Benzoylamidoacetonitrile?
You can request a quote for Benzoylamidoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylamidoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benzoylamidoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.