5-Amino-2-methoxybenzotrifluoride
TL;DR: 5-Amino-2-methoxybenzotrifluoride (CAS 393-15-7) is a chemical compound with molecular formula C8H8F3NO and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-(trifluoromethyl)aniline
Also Known As: 4-methoxy-3-(trifluoromethyl)aniline, 5-amino-2-methoxybenzotrifluoride, 3-Trifluoromethyl-p-anisidine, 5-Amino-2-methoxybenzotrifluoroide, 3-amino-6-methoxybenzotrifluoride
| Molecular Formula | C8H8F3NO |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.0558 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 393-15-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N)C(F)(F)F |
| InChIKey | CQJCPOVTPNWVBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-2-methoxybenzotrifluoride (CAS 393-15-7), with molecular formula C8H8F3NO and molecular weight 191.06 g/mol. IUPAC: 4-methoxy-3-(trifluoromethyl)aniline.
Chemical Property Profile of 5-Amino-2-methoxybenzotrifluoride
Property Insights of 5-Amino-2-methoxybenzotrifluoride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-methoxybenzotrifluoride. With a topological polar surface area (TPSA) of 35.3 Ų, 5-Amino-2-methoxybenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-methoxybenzotrifluoride 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 5-Amino-2-methoxybenzotrifluoride?
The CAS number of 5-Amino-2-methoxybenzotrifluoride is 393-15-7.
What is the molecular formula of 5-Amino-2-methoxybenzotrifluoride?
The molecular formula of 5-Amino-2-methoxybenzotrifluoride is C8H8F3NO.
What is the molecular weight of 5-Amino-2-methoxybenzotrifluoride?
The molecular weight of 5-Amino-2-methoxybenzotrifluoride is 191.06 g/mol.
Where can I buy 5-Amino-2-methoxybenzotrifluoride?
You can request a quote for 5-Amino-2-methoxybenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-methoxybenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-methoxybenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.