3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide
TL;DR: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide (CAS 515848-05-2) is a chemical compound with molecular formula C19H19BrCl2N4O and molecular weight 468.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide, Tricyclo[3.3.1.13,7]decane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-, 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)adamantane-1-carboxamide, 3-(3-Bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C19H19BrCl2N4O |
|---|---|
| Molecular Weight | 468.01 g/mol |
| LogP | 5.2816 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.01193 |
| Heavy Atoms | 27 |
| Complexity | 916.18353 |
Chemical Identifiers
| CAS Number | 515848-05-2 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC(=C(C=C5)Cl)Cl |
Product Overview
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide (CAS 515848-05-2), with molecular formula C19H19BrCl2N4O and molecular weight 468.01 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide
Property Insights of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide
The XLogP value of 5.2816 indicates that 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-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, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide 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 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide?
The CAS number of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide is 515848-05-2.
What is the molecular formula of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide?
The molecular formula of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide is C19H19BrCl2N4O.
What is the molecular weight of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide?
The molecular weight of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide is 468.01 g/mol.
Where can I buy 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide?
You can request a quote for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dichlorophenyl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.