N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445015-70-3) is a chemical compound with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-(2-sec-butylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide, N-[2-(butan-2-yl)phenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-[2-(SEC-BUTYL)PHENYL]-3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C23H29ClN4O |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 5.3792 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.203 |
| Heavy Atoms | 29 |
| Complexity | 924.464 |
Chemical Identifiers
| CAS Number | 445015-70-3 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl |
Product Overview
N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445015-70-3), with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol. IUPAC: N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 5.3792 indicates that N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide 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-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 445015-70-3.
What is the molecular formula of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C23H29ClN4O.
What is the molecular weight of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 412.20 g/mol.
Where can I buy N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-(2-butan-2-ylphenyl)-3-(3-chloro-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-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.