3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide
TL;DR: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide (CAS 496016-34-3) is a chemical compound with molecular formula C19H19BrClFN4O and molecular weight 452.04 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-chloro-4-fluorophenyl)adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)-1-adamantanecarboxamide, [3-(3-bromo(1,2,4-triazolyl))adamantanyl]-N-(3-chloro-4-fluorophenyl)carboxami de, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-(3-CHLORO-4-FLUOROPHENYL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C19H19BrClFN4O |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 4.7673 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.04147 |
| Heavy Atoms | 27 |
| Complexity | 918.18353 |
Chemical Identifiers
| CAS Number | 496016-34-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC(=C(C=C5)F)Cl |
Product Overview
3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide (CAS 496016-34-3), with molecular formula C19H19BrClFN4O and molecular weight 452.04 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide
Property Insights of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide
The XLogP value of 4.7673 indicates that 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)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, 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide 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 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide?
The CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide is 496016-34-3.
What is the molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide?
The molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide is C19H19BrClFN4O.
What is the molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide?
The molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide is 452.04 g/mol.
Where can I buy 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide?
You can request a quote for 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)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-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.