苯基甘氨酸腈
TL;DR: 苯基甘氨酸腈 (CAS 2973-50-4) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基甘氨酸腈
2-(2-aminophenyl)acetonitrile
Also Known As: 2-(2-aminophenyl)acetonitrile, 2-Aminobenzyl cyanide, 2-Aminophenylacetonitrile, (2-Aminophenyl)acetonitrile, 2-Aminobenzylcyanide
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2973-50-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC#N)N |
| InChIKey | LMDPYYUISNUGGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基甘氨酸腈 (CAS 2973-50-4), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 2-(2-aminophenyl)acetonitrile.
Chemical Property Profile of 苯基甘氨酸腈
Property Insights of 苯基甘氨酸腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯基甘氨酸腈. With a topological polar surface area (TPSA) of 49.8 Ų, 苯基甘氨酸腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基甘氨酸腈 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 苯基甘氨酸腈?
The CAS number of 苯基甘氨酸腈 is 2973-50-4.
What is the molecular formula of 苯基甘氨酸腈?
The molecular formula of 苯基甘氨酸腈 is C8H8N2.
What is the molecular weight of 苯基甘氨酸腈?
The molecular weight of 苯基甘氨酸腈 is 132.07 g/mol.
Where can I buy 苯基甘氨酸腈?
You can request a quote for 苯基甘氨酸腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基甘氨酸腈?
Yes, KEHONG BIO provides custom synthesis services for 苯基甘氨酸腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.