![3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide structure](/static/products/7167/7167-29-5.webp)
3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
TL;DR: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide (CAS 7167-29-5) is a chemical compound with molecular formula C21H23BrF2N4O3 and molecular weight 496.09 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-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide, 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]adamantane-1-carboxamide, 3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N-[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]-1-ADAMANTANECARBOXAMIDE, 3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N-[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]ADAMANTANE-1-CARBOXAMIDE, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C21H23BrF2N4O3 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 4.5848 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.09216 |
| Heavy Atoms | 31 |
| Complexity | 1000.2611 |
Chemical Identifiers
| CAS Number | 7167-29-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC(F)F |
Product Overview
3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide (CAS 7167-29-5), with molecular formula C21H23BrF2N4O3 and molecular weight 496.09 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
Property Insights of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
The XLogP value of 4.5848 indicates that 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-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-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide?
The CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide is 7167-29-5.
What is the molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide?
The molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide is C21H23BrF2N4O3.
What is the molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide?
The molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide is 496.09 g/mol.
Where can I buy 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide?
You can request a quote for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]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-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.