N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
TL;DR: N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide (CAS 445022-63-9) is a chemical compound with molecular formula C22H26N4O and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide, N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-indan-5-yl(3-(1,2,4-triazolyl)adamantanyl)carboxamide, N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-(2,3-DIHYDRO-1H-INDEN-5-YL)-3-(1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C22H26N4O |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 3.701 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.21066 |
| Heavy Atoms | 27 |
| Complexity | 889.0415 |
Chemical Identifiers
| CAS Number | 445022-63-9 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC=N6 |
Product Overview
N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide (CAS 445022-63-9), with molecular formula C22H26N4O and molecular weight 362.21 g/mol. IUPAC: N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
Property Insights of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
The XLogP value of 3.701 indicates that N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide has 1 hydrogen bond donor(s) and 3 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-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide?
The CAS number of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide is 445022-63-9.
What is the molecular formula of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide?
The molecular formula of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide is C22H26N4O.
What is the molecular weight of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide?
The molecular weight of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide is 362.21 g/mol.
Where can I buy N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide?
You can request a quote for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.