2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride
TL;DR: 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride (CAS 202131-20-2) is a chemical compound with molecular formula C9H9FN2O2S and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
Also Known As: 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride, 2-(1H-benzimidazol-1-yl)ethanesulfonyl fluoride, 2-(benzimidazol-1-yl)ethanesulfonyl fluoride, 2-benzoimidazol-1-ylethanesulfonyl Fluoride, 2-benzoimidazol-1-yl-ethanesulfonyl fluoride
| Molecular Formula | C9H9FN2O2S |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.3356 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03688 |
| Heavy Atoms | 15 |
| Complexity | 576.5648 |
Chemical Identifiers
| CAS Number | 202131-20-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CCS(=O)(=O)F |
Product Overview
2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride (CAS 202131-20-2), with molecular formula C9H9FN2O2S and molecular weight 228.04 g/mol. IUPAC: 2-(benzimidazol-1-yl)ethanesulfonyl fluoride.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride
Property Insights of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride
The XLogP value of 1.3356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride. With a topological polar surface area (TPSA) of 51.96 Ų, 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride has 0 hydrogen bond donor(s) and 3 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 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride?
The CAS number of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride is 202131-20-2.
What is the molecular formula of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride?
The molecular formula of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride is C9H9FN2O2S.
What is the molecular weight of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride?
The molecular weight of 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride is 228.04 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride?
You can request a quote for 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-1-yl)ethane-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.