![3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide structure](/static/products/4256/425650-59-5.webp)
3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide (CAS 425650-59-5) is a chemical compound with molecular formula C21H12ClFN4OS and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide, 3-chloro-N-[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide, 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide
| Molecular Formula | C21H12ClFN4OS |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 5.68 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.04044 |
| Heavy Atoms | 29 |
| Complexity | 1377.0082 |
Chemical Identifiers
| CAS Number | 425650-59-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F)Cl |
Product Overview
3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide (CAS 425650-59-5), with molecular formula C21H12ClFN4OS and molecular weight 422.04 g/mol. IUPAC: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
The XLogP value of 5.68 indicates that 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide is 425650-59-5.
What is the molecular formula of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide is C21H12ClFN4OS.
What is the molecular weight of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide is 422.04 g/mol.
Where can I buy 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.