Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-
TL;DR: Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- (CAS 254116-64-8) is a chemical compound with molecular formula C12H4ClF4N3 and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2,3,5,6-tetrafluorophenyl)benzotriazole
Also Known As: J2.931.398I, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)benzotriazole, 1-(2,3,5,6-Tetrafluoro-4-chlorophenyl)-1H-benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-1H-benzotriazole, Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-
| Molecular Formula | C12H4ClF4N3 |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.003 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 254116-64-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C(=C(C(=C3F)F)Cl)F)F |
| InChIKey | CYKGZOODWFCNDA-UHFFFAOYSA-N |
Product Overview
Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- (CAS 254116-64-8), with molecular formula C12H4ClF4N3 and molecular weight 301.00 g/mol. IUPAC: 1-(4-chloro-2,3,5,6-tetrafluorophenyl)benzotriazole.
Chemical Property Profile of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-
Property Insights of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-
The XLogP value of 3.8 indicates that Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- has 0 hydrogen bond donor(s) and 6 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 Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-?
The CAS number of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- is 254116-64-8.
What is the molecular formula of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-?
The molecular formula of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- is C12H4ClF4N3.
What is the molecular weight of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-?
The molecular weight of Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- is 301.00 g/mol.
Where can I buy Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-?
You can request a quote for Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazole, 1-(4-chloro-2,3,5,6-tetrafluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.