methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate
TL;DR: methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate (CAS 866009-52-1) is a chemical compound with molecular formula C10H7F2N3O2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-difluoro-4-(1,2,4-triazol-1-yl)benzoate
Also Known As: methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate, methyl 3,5-difluoro-4-(1,2,4-triazol-1-yl)benzoate, methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzoate, methyl3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzoate
| Molecular Formula | C10H7F2N3O2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 1.3321 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05063 |
| Heavy Atoms | 17 |
| Complexity | 531.6787 |
Chemical Identifiers
| CAS Number | 866009-52-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)F)N2C=NC=N2)F |
Product Overview
methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate (CAS 866009-52-1), with molecular formula C10H7F2N3O2 and molecular weight 239.05 g/mol. IUPAC: methyl 3,5-difluoro-4-(1,2,4-triazol-1-yl)benzoate.
Chemical Property Profile of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate
Property Insights of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate
The XLogP value of 1.3321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate 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 methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate?
The CAS number of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate is 866009-52-1.
What is the molecular formula of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate?
The molecular formula of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate is C10H7F2N3O2.
What is the molecular weight of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate?
The molecular weight of methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate is 239.05 g/mol.
Where can I buy methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate?
You can request a quote for methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,5-difluoro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.