![furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone structure](/static/products/4449/444937-86-4.webp)
furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone
TL;DR: furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone (CAS 444937-86-4) is a chemical compound with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone
Also Known As: furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone, 1-(2-furoyl)-4-[(3-{3-nitro-1H-1,2,4-triazol-1-yl}-1-adamantyl)carbonyl]piperazine, [4-(2-FURYLCARBONYL)PIPERAZINO][3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]METHANONE, furan-2-yl(4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}piperazin-1-yl)methanone
| Molecular Formula | C22H26N6O5 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 2.0594 |
| Topological Polar Surface Area | 127.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.19647 |
| Heavy Atoms | 33 |
| Complexity | 1088.4725 |
Chemical Identifiers
| CAS Number | 444937-86-4 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)[N+](=O)[O-] |
Product Overview
furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone (CAS 444937-86-4), with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol. IUPAC: furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone.
Chemical Property Profile of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone
Property Insights of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone
The XLogP value of 2.0594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone. The TPSA of 127.61 Ų falls within the moderate polarity range, balancing permeability and solubility for furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone. Following Lipinski's Rule of Five, furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone has 0 hydrogen bond donor(s) and 7 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 furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone?
The CAS number of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone is 444937-86-4.
What is the molecular formula of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone?
The molecular formula of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone is C22H26N6O5.
What is the molecular weight of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone?
The molecular weight of furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone is 454.20 g/mol.
Where can I buy furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone?
You can request a quote for furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.