methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate
TL;DR: methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate (CAS 866009-49-6) is a chemical compound with molecular formula C10H7ClFN3O2 and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-chloro-1,2,4-triazol-1-yl)-3-fluorobenzoate
Also Known As: methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate, methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzoate, methyl 4-(3-chloro-1,2,4-triazol-1-yl)-3-fluorobenzoate, methyl 4-(3-chloro-1,2,4-triazol-1-yl)-3-fluoro-benzoate, methyl4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzoate
| Molecular Formula | C10H7ClFN3O2 |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 1.8464 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02109 |
| Heavy Atoms | 17 |
| Complexity | 570.4287 |
Chemical Identifiers
| CAS Number | 866009-49-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2C=NC(=N2)Cl)F |
Product Overview
methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate (CAS 866009-49-6), with molecular formula C10H7ClFN3O2 and molecular weight 255.02 g/mol. IUPAC: methyl 4-(3-chloro-1,2,4-triazol-1-yl)-3-fluorobenzoate.
Chemical Property Profile of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate
Property Insights of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate
The XLogP value of 1.8464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate 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 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate?
The CAS number of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate is 866009-49-6.
What is the molecular formula of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate?
The molecular formula of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate is C10H7ClFN3O2.
What is the molecular weight of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate?
The molecular weight of methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate is 255.02 g/mol.
Where can I buy methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate?
You can request a quote for methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)-3-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.