![3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid structure](/static/products/6897/68979-78-2.webp)
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
TL;DR: 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid (CAS 68979-78-2) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
Also Known As: 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid, 1H-1,2,4-Triazole-3-propanoic acid, 5-(3-bromophenyl)-, 3-[5-(3-bromophenyl)-2H-1,2,4-triazol-3-yl]propanoic acid
| Molecular Formula | C11H10BrN3O2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.99564 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 68979-78-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NNC(=N2)CCC(=O)O |
| InChIKey | CCCSLSIMTKVIME-UHFFFAOYSA-N |
Product Overview
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid (CAS 68979-78-2), with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol. IUPAC: 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid.
Chemical Property Profile of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
Property Insights of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid has 2 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-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid?
The CAS number of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid is 68979-78-2.
What is the molecular formula of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid?
The molecular formula of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid is C11H10BrN3O2.
What is the molecular weight of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid?
The molecular weight of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid is 295.00 g/mol.
Where can I buy 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid?
You can request a quote for 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.