(3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
TL;DR: (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone (CAS 320424-35-9) is a chemical compound with molecular formula C7H3Br2N3OS and molecular weight 334.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
Also Known As: 3,5-dibromo-1-(thiophene-2-carbonyl)-1H-1,2,4-triazole, (3,5-dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone, 12N-728, (3,5-dibromo-1H-1,2,4-triazol-1-yl)(2-thienyl)methanone
| Molecular Formula | C7H3Br2N3OS |
|---|---|
| Molecular Weight | 334.84 g/mol |
| LogP | 2.5531 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.83636 |
| Heavy Atoms | 14 |
| Complexity | 465.24323 |
Chemical Identifiers
| CAS Number | 320424-35-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)N2C(=NC(=N2)Br)Br |
Product Overview
(3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone (CAS 320424-35-9), with molecular formula C7H3Br2N3OS and molecular weight 334.84 g/mol. IUPAC: (3,5-dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone.
Chemical Property Profile of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
Property Insights of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
The XLogP value of 2.5531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone. With a topological polar surface area (TPSA) of 47.78 Ų, (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone has 0 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 (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The CAS number of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone is 320424-35-9.
What is the molecular formula of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The molecular formula of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone is C7H3Br2N3OS.
What is the molecular weight of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The molecular weight of (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone is 334.84 g/mol.
Where can I buy (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
You can request a quote for (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dibromo-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.