5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
TL;DR: 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (CAS 515858-93-2) is a chemical compound with molecular formula C7H5BrN4OS and molecular weight 271.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
Also Known As: 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide, 5-bromo-N-(4H-1,2,4-triazol-4-yl)-2-thiophenecarboxamide, 5-bromo-N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide, (5-bromo(2-thienyl))-N-(1,2,4-triazol-4-yl)carboxamide
| Molecular Formula | C7H5BrN4OS |
|---|---|
| Molecular Weight | 271.94 g/mol |
| LogP | 1.486 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.93674 |
| Heavy Atoms | 14 |
| Complexity | 438.2442 |
Chemical Identifiers
| CAS Number | 515858-93-2 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)C(=O)NN2C=NN=C2 |
Product Overview
5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (CAS 515858-93-2), with molecular formula C7H5BrN4OS and molecular weight 271.94 g/mol. IUPAC: 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.
Chemical Property Profile of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
Property Insights of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
The XLogP value of 1.486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide. With a topological polar surface area (TPSA) of 59.81 Ų, 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 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 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The CAS number of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is 515858-93-2.
What is the molecular formula of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The molecular formula of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is C7H5BrN4OS.
What is the molecular weight of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The molecular weight of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is 271.94 g/mol.
Where can I buy 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
You can request a quote for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.