![N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide structure](/static/products/5151/515151-39-0.webp)
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 515151-39-0) is a chemical compound with molecular formula C20H19F4N5O3 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{3-nitro-1H-1,2,4-triazol-1-yl}-1-adamantanecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C20H19F4N5O3 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 4.2784 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.1424 |
| Heavy Atoms | 32 |
| Complexity | 1100.8951 |
Chemical Identifiers
| CAS Number | 515151-39-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=C(C=CC(=C5)C(F)(F)F)F |
Product Overview
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 515151-39-0), with molecular formula C20H19F4N5O3 and molecular weight 453.14 g/mol. IUPAC: N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 4.2784 indicates that N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide 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 N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 515151-39-0.
What is the molecular formula of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C20H19F4N5O3.
What is the molecular weight of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 453.14 g/mol.
Where can I buy N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.