Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone
TL;DR: Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone (CAS 406917-89-3) is a chemical compound with molecular formula C14H9F2N3O and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone
Also Known As: CBChromo1_000150, BIM-0014504.P001, benzotriazolyl 4,5-difluoro-2-methylphenyl ketone, benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone, 1H-benzotriazol-1-yl(4,5-difluoro-2-methylphenyl)methanone
| Molecular Formula | C14H9F2N3O |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.07138 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 406917-89-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)N2C3=CC=CC=C3N=N2)F)F |
| InChIKey | OAMZEOYYWCCFRT-UHFFFAOYSA-N |
Product Overview
Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone (CAS 406917-89-3), with molecular formula C14H9F2N3O and molecular weight 273.07 g/mol. IUPAC: benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone
Property Insights of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone
The XLogP value of 3.2 indicates that Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone has 0 hydrogen bond donor(s) and 5 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 Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone?
The CAS number of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone is 406917-89-3.
What is the molecular formula of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone is C14H9F2N3O.
What is the molecular weight of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone is 273.07 g/mol.
Where can I buy Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.