2-氨基-3-(三氟甲基)苯甲腈
TL;DR: 2-氨基-3-(三氟甲基)苯甲腈 (CAS 58458-14-3) is a chemical compound with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-3-(三氟甲基)苯甲腈
2-amino-3-(trifluoromethyl)benzonitrile
Also Known As: 2-amino-3-trifluoromethylbenzonitrile, 2-amino-3-(trifluoromethyl)benzonitrile, 2-cyano-6-trifluoromethylaniline, Benzonitrile, 2-amino-3-(trifluoromethyl)-, 2-Bromo-3-(trifluoromethyl)aniline
| Molecular Formula | C8H5F3N2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.04048 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58458-14-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)N)C#N |
| InChIKey | UHOSMRSMWHLHJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-3-(三氟甲基)苯甲腈 (CAS 58458-14-3), with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol. IUPAC: 2-amino-3-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2-氨基-3-(三氟甲基)苯甲腈
Property Insights of 2-氨基-3-(三氟甲基)苯甲腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-3-(三氟甲基)苯甲腈. With a topological polar surface area (TPSA) of 49.8 Ų, 2-氨基-3-(三氟甲基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氨基-3-(三氟甲基)苯甲腈 has 1 hydrogen bond donor(s) and 5 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 2-氨基-3-(三氟甲基)苯甲腈?
The CAS number of 2-氨基-3-(三氟甲基)苯甲腈 is 58458-14-3.
What is the molecular formula of 2-氨基-3-(三氟甲基)苯甲腈?
The molecular formula of 2-氨基-3-(三氟甲基)苯甲腈 is C8H5F3N2.
What is the molecular weight of 2-氨基-3-(三氟甲基)苯甲腈?
The molecular weight of 2-氨基-3-(三氟甲基)苯甲腈 is 186.04 g/mol.
Where can I buy 2-氨基-3-(三氟甲基)苯甲腈?
You can request a quote for 2-氨基-3-(三氟甲基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-3-(三氟甲基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-3-(三氟甲基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.