![3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide structure](/static/products/4450/445020-73-5.webp)
3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide
TL;DR: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide (CAS 445020-73-5) is a chemical compound with molecular formula C27H26BrN5OS and molecular weight 547.10 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-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C27H26BrN5OS |
|---|---|
| Molecular Weight | 547.10 g/mol |
| LogP | 6.55992 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.1041 |
| Heavy Atoms | 35 |
| Complexity | 1444.0227 |
Chemical Identifiers
| CAS Number | 445020-73-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br |
Product Overview
3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide (CAS 445020-73-5), with molecular formula C27H26BrN5OS and molecular weight 547.10 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide
Property Insights of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide
The XLogP value of 6.55992 indicates that 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 5 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-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide?
The CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide is 445020-73-5.
What is the molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide?
The molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide is C27H26BrN5OS.
What is the molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide?
The molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide is 547.10 g/mol.
Where can I buy 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide?
You can request a quote for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]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-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.