3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide
TL;DR: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide (CAS 445017-23-2) is a chemical compound with molecular formula C19H21N5O3 and molecular weight 367.16 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-phenyladamantane-1-carboxamide
Also Known As: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide, 3-{3-nitro-1H-1,2,4-triazol-1-yl}-N-phenyl-1-adamantanecarboxamide, [3-(3-nitro(1,2,4-triazolyl))adamantanyl]-N-benzamide, 3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-PHENYL-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C19H21N5O3 |
|---|---|
| Molecular Weight | 367.16 g/mol |
| LogP | 3.1205 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.16443 |
| Heavy Atoms | 27 |
| Complexity | 895.07874 |
Chemical Identifiers
| CAS Number | 445017-23-2 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5 |
Product Overview
3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide (CAS 445017-23-2), with molecular formula C19H21N5O3 and molecular weight 367.16 g/mol. IUPAC: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide.
Chemical Property Profile of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide
Property Insights of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide
The XLogP value of 3.1205 indicates that 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-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-phenyladamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-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 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide?
The CAS number of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide is 445017-23-2.
What is the molecular formula of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide?
The molecular formula of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide is C19H21N5O3.
What is the molecular weight of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide?
The molecular weight of 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide is 367.16 g/mol.
Where can I buy 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide?
You can request a quote for 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-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-phenyladamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.