3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide
TL;DR: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide (CAS 445018-17-7) is a chemical compound with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide
Also Known As: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide, 3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylthio)phenyl]adamantane-1-carboxamide, 3-{3-nitro-1H-1,2,4-triazol-1-yl}-N-[2-(phenylsulfanyl)phenyl]-1-adamantanecarboxamide, 3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylsulfanyl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-[2-(PHENYLSULFANYL)PHENYL]-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 5.2717 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1246.2018 |
Chemical Identifiers
| CAS Number | 445018-17-7 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5SC6=CC=CC=C6 |
Product Overview
3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide (CAS 445018-17-7), with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol. IUPAC: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide
Property Insights of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide
The XLogP value of 5.2717 indicates that 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)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 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide?
The CAS number of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide is 445018-17-7.
What is the molecular formula of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide?
The molecular formula of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide is C25H25N5O3S.
What is the molecular weight of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide?
The molecular weight of 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide is 475.17 g/mol.
Where can I buy 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide?
You can request a quote for 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)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 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.